Khellin

Modify Date: 2026-07-01 19:26:16

Khellin structure	Common Name	Khellin
	CAS Number	82-02-0	Molecular Weight	260.242
	Density	1.3±0.1 g/cm3	Boiling Point	482.1±0.0 °C at 760 mmHg
	Molecular Formula	C₁₄H₁₂O₅	Melting Point	150-154ºC
	MSDS	Chinese USA	Flash Point	218.8±28.7 °C
	Symbol	GHS06	Signal Word	Danger

Use of Khellin

Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> JAK/STAT Signaling >> EGFR Research Areas >> Cardiovascular Disease Signaling Pathways >> Protein Tyrosine Kinase/RTK >> EGFR
Target	IC50: 0.15 µM (EGFR)[1]
In Vitro	Khelline exhibits anti-proliferative activity for MCF-7 cells and Hela cells[1]. Khellin causes total relaxation of both NA- and K+-contractions and a change in external calcium concentration[2].
References	[1]. Abdel-Sattar S Hamad Elgazwy, et al. Molecular modeling study bioactive natural product of khellin analogues as a novel potential pharmacophore of EGFR inhibitors. J Enzyme Inhib Med Chem. 2013 Dec;28(6):1171-81. [2]. A Ubeda, et al. Relaxant actions of khellin on vascular smooth muscle. J Pharm Pharmacol . 1989 Apr;41(4):236-41.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.3±0.1 g/cm3
Boiling Point	482.1±0.0 °C at 760 mmHg
Melting Point	150-154ºC
Molecular Formula	C₁₄H₁₂O₅
Molecular Weight	260.242
Flash Point	218.8±28.7 °C
Exact Mass	260.068481
PSA	61.81000
LogP	1.77
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.595
InChIKey	HSMPDPBYAYSOBC-UHFFFAOYSA-N
SMILES	COc1c2occc2c(OC)c2c(=O)cc(C)oc12

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Khellin MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LV1050000

CHEMICAL NAME :: 5H-Furo(3,2-g)(1)benzopyran-5-one, 4,9-dimethoxy-7-methyl-

CAS REGISTRY NUMBER :: 82-02-0

BEILSTEIN REFERENCE NO. :: 0263185

LAST UPDATED :: 199707

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C14-H12-O5

MOLECULAR WEIGHT :: 260.26

WISWESSER LINE NOTATION :: T C566 DO JV MOJ BO1 HO1 L1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 68800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 70 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JDGRAX Journal of Drug Research. (National Organization for Drug Research and Control, POB 29, Cairo, Egypt) V.2- 1969- Volume(issue)/page/year: 9(1-2),35,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 34400 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 155 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,561,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30600 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 11,915,1961

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intramuscular

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 83 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JDGRAX Journal of Drug Research. (National Organization for Drug Research and Control, POB 29, Cairo, Egypt) V.2- 1969- Volume(issue)/page/year: 7(2),1,1975 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 gm/kg

SEX/DURATION :: female 9-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 18 gm/kg

SEX/DURATION :: female 9-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 60 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 30 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 3 gm/kg

SEX/DURATION :: female 7-12 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - physical

REFERENCE :: TOIZAG Toho Igakkai Zasshi. Journal of Medical Society of Toho University. (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143, Japan) V.1- 1954- Volume(issue)/page/year: 18,81,1971

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301-H315
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R25
Safety Phrases	36/37/39-45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	LV1050000
Packaging Group	III
Hazard Class	6.1(b)
HS Code	2932999099

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 7
CAS#:484-51-5 khellinone CAS#:98362-17-5 1-(6-ethoxy-4,7... CAS#:37833-19-5 6-hydroxy-4,7-d... CAS#:2159-83-3 4,9-Dihydroxy-7...
CAS#:4481-60-1 5-norvisnagin CAS#:141-78-6 ethyl acetate CAS#:481-71-0 7-Methyl-4H-fur...
DownStream 10
CAS#:3380-63-0 4,9-dimethoxy-7... CAS#:34959-30-3 azaspirium chloride CAS#:75884-10-5 1-(4-ethoxy-6-h... CAS#:76301-19-4 Timefurone
CAS#:668-10-0 7-(hydroxymethy... CAS#:68094-07-5 6-hydroxy-4,7-d... CAS#:85518-13-4 6-acetyl-4,9-di... CAS#:86397-42-4 9-ethoxy-4-hydr...
CAS#:86397-43-5 4,9-DIETHOXY-7-... CAS#:87145-72-0 methyl 6-hydrox...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

This table lists relevant public references with title, journal and publication metadata for this compound.

Validated HPLC and HPTLC methods for simultaneous determination of colchicine and khellin in pharmaceutical formulations.

J. Chromatogr. Sci. 51(3) , 258-65, (2013)

The present work describes validated high-performance liquid chromatography (HPLC) and high-performance thin-layer chromatography (HPTLC) methods for the simultaneous determination of colchicine and k...

F420H2-dependent degradation of aflatoxin and other furanocoumarins is widespread throughout the actinomycetales.

PLoS ONE 7(2) , e30114, (2012)

Two classes of F(420)-dependent reductases (FDR-A and FDR-B) that can reduce aflatoxins and thereby degrade them have previously been isolated from Mycobacterium smegmatis. One class, the FDR-A enzyme...

A case study to evaluate the treatment of vitiligo with khellin encapsulated in L-phenylalanin stabilized phosphatidylcholine liposomes in combination with ultraviolet light therapy.

Eur. J. Dermatol. 13(5) , 474-7, (2003)

Vitiligo destroys the melanocytes in the epidermis; the inactive melanocytes in the outer root sheaths are not affected. Phosphatidylcholine liposomes are able to target molecules contained in them in...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

Name: Compound was tested for the vasorelaxation in rat aorta rings pre-contracted with KCl...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL780352

Name: Compound was tested for the vasorelaxation in rat aorta rings pre-contracted with nor...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL780353

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201

Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay

Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN

Total 503, Current Page 1 of 51

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Khellin

4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]-[1]benzopyran-5-one

Methafrone

Corafurone

Ammivisnagen

coronin

4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g][1]benzopyran

Rykellin

4,9-Dimethoxy-7-methyl-5H-furo[3,2-g]chromen-5-one

4,9-Dimethoxy-7-methyl-5-oxo-1,8-dioxabenz[f]indene

4,9-Dimethoxy-7-methyl-5-oxofuro[3,2-g]-1,2-chromene

Ammicardine

5,8-dimethoxy-2-methyl-4',5'-furo-6,7-chromane

Kelourin

Ammispasmin

hellin

Amicardine

EINECS 201-392-8

MFCD00005007

Visammin

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Molecular formula of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is C14H12O5.

Q: What is the safety information for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Safety information for 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one: 36/37/39-45.

Q: What is the boiling point of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Boiling point of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is 482.1±0.0 °C at 760 mmHg.

Q: What is the InChIKey of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: InChIKey of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is HSMPDPBYAYSOBC-UHFFFAOYSA-N.

Q: What is the molecular weight of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Molecular weight of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is 260.242.

Q: What is the SMILES notation of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: SMILES notation of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is COc1c2occc2c(OC)c2c(=O)cc(C)oc12.

Q: What are the downstream products of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Related downstream products(CAS) of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one: 3380-63-0;34959-30-3;75884-10-5;76301-19-4;668-10-0;68094-07-5;85518-13-4;86397-42-4;86397-43-5;87145-72-0.

Q: What is the LogP of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: LogP of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one is 1.77.

Q: What are the upstream materials of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Related upstream materials(CAS) of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one: 484-51-5;98362-17-5;37833-19-5;2159-83-3;4481-60-1;141-78-6;481-71-0.

Q: What are the uses of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one?

A: Main uses of 4,9-dimethoxy-7-methylfuro[3,2-g]chromen-5-one: Khellin, a naturally occurring furochromone, is an EGFR inhibitor with an IC50 of 0.15 µM. Khelline has anti-proliferative activity in vitro. Khellin has antispasmodic and coronary vasodilator effects[1][2].

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

BioBioPha

Henan Tianfu Chemical Co., Ltd.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Khellin
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

BioBioPha
China
Product Name: Khellin
Price: ￥Inquiry/5mg
Purity: 98.0%
Delivery: 10 Day
Contact: Xueping-Zheng
Email: 1477035482@qq.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 82-02-0
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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