Dihydromethysticin

Modify Date: 2025-08-26 10:01:08

Dihydromethysticin Structure
Dihydromethysticin structure
Common Name Dihydromethysticin
CAS Number 19902-91-1 Molecular Weight 276.284
Density 1.3±0.1 g/cm3 Boiling Point 476.1±45.0 °C at 760 mmHg
Molecular Formula C15H16O5 Melting Point N/A
MSDS Chinese USA Flash Point 214.1±28.8 °C

 Use of Dihydromethysticin


Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.

 Names

Name (+)-Dihydromethysticin
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 476.1±45.0 °C at 760 mmHg
Molecular Formula C15H16O5
Molecular Weight 276.284
Flash Point 214.1±28.8 °C
Exact Mass 276.099762
PSA 53.99000
LogP 1.81
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.576
InChIKey RSIWXFIBHXYNFM-NSHDSACASA-N
SMILES COC1=CC(=O)OC(CCc2ccc3c(c2)OCO3)C1
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UQ0516000
CHEMICAL NAME :
2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethy l)-, (S)-
CAS REGISTRY NUMBER :
19902-91-1
LAST UPDATED :
199206
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H16-O5
MOLECULAR WEIGHT :
276.31

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1050 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - other changes
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
420 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 26,283,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Behavioral - muscle weakness Behavioral - muscle contraction or spasticity Gastrointestinal - nausea or vomiting
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 138,505,1962

 Safety Information

RIDADR NONH for all modes of transport

 DihydromethysticinBioassay

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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
Name: Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as ...
Source: ChEMBL
Target: Lactuca sativa
External Id: CHEMBL3061624
Name: Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as ...
Source: ChEMBL
Target: Lactuca sativa
External Id: CHEMBL3061625
Name: Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as ...
Source: ChEMBL
Target: Lactuca sativa
External Id: CHEMBL3061626
Name: Antifungal activity against Hypocrea rufa assessed as growth inhibition at 10 ppm aft...
Source: ChEMBL
Target: Trichoderma viride
External Id: CHEMBL3060890
Name: Antifungal activity against Hypocrea rufa assessed as growth inhibition at 50 ppm aft...
Source: ChEMBL
Target: Trichoderma viride
External Id: CHEMBL3068270
Name: Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 50 pp...
Source: ChEMBL
Target: Fusarium oxysporum
External Id: CHEMBL3068271
Name: Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 10 pp...
Source: ChEMBL
Target: Fusarium oxysporum
External Id: CHEMBL3068272
Name: Antifungal activity against Fusarium solani assessed as growth inhibition at 50 ppm a...
Source: ChEMBL
Target: Fusarium solani
External Id: CHEMBL3068273
Name: Antifungal activity against Fusarium solani assessed as growth inhibition at 10 ppm a...
Source: ChEMBL
Target: Fusarium solani
External Id: CHEMBL3067945
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 Synonyms

(6S)-6-[2-(1,3-Benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-2H-pyran-2-one Dihydromethysticin
(6S)-6-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
DIHYDROMETHYSTICIN
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