1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone

Modify Date: 2025-09-15 13:01:02

1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone Structure
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone structure
Common Name 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
CAS Number 98569-63-2 Molecular Weight 404.41000
Density 1.32g/cm3 Boiling Point 634.6ºC at 760 mmHg
Molecular Formula C21H24O8 Melting Point N/A
MSDS N/A Flash Point 221.4ºC

 Names

Name 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 634.6ºC at 760 mmHg
Molecular Formula C21H24O8
Molecular Weight 404.41000
Flash Point 221.4ºC
Exact Mass 404.14700
PSA 133.52000
LogP 3.13900
Index of Refraction 1.61
InChIKey JXSPGOIAWPYMGS-UHFFFAOYSA-N
SMILES COc1c(C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(C)c1OC

 Safety Information

HS Code 2914509090

 Synthetic Route

~%

1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone Structure

1-[3-[(3-acetyl...

CAS#:98569-63-2

Literature: McGookin et al. Journal of the Chemical Society, 1951 , p. 2021,2025

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2914509090
Summary HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Bioassay

View more

Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017520
Name: Cytotoxicity against human KB cells
Source: ChEMBL
Target: KB
External Id: CHEMBL1033417
Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017519
Name: Antitumor promotor activity against mouse C3H10T1/2 cells assessed as inhibition of T...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL1017521
Name: Antimalarial activity against chloroquine/mefloquine-resistant Plasmodium falciparum ...
Source: ChEMBL
Target: Plasmodium falciparum
External Id: CHEMBL2341429
Name: HIV Enzyme Data
Source: NIAID
Target: N/A
External Id: HIV Enzyme Data
Name: Cytotoxicity against mouse L5178Y cells
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL1017331
Name: Cytotoxicity against human KB cells
Source: ChEMBL
Target: KB
External Id: CHEMBL1017524
Name: Cytotoxicity against human KB cells
Source: ChEMBL
Target: KB
External Id: CHEMBL1017330
Name: Cytotoxicity against mouse L5178Y cells
Source: ChEMBL
Target: L5178Y
External Id: CHEMBL1033418
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 Synonyms

Bis-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)-methan
Mallotophenone
5-Methylene-bis-2,6-dihydroxy-3-methyl-4-methoxyacetophenone
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone
bis-(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)-methane
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