CAS 19902-91-1|Dihydromethysticin

Introduction：Basic information about CAS 19902-91-1|Dihydromethysticin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Dihydromethysticin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Synonyms

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	/
MSDS	ChineseUSA	Flash Point	214.1±28.8 °C

Names

Name	(+)-Dihydromethysticin
Synonym	More Synonyms

Dihydromethysticin BiologicalActivity

Description	Dihydromethysticin is one of the six major kavalactones found in the kava plant; has marked activity on the induction of CYP3A23.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Natural Products >>OthersResearch Areas >>Others
References	[1]. Ma Y, et al. Desmethoxyyangonin and dihydromethysticin are two major pharmacological kavalactones with marked activity on the induction of CYP3A23. Drug Metab Dispos. 2004 Nov;32(11):1317-24. [2]. Walden J, et al. Effects of kawain and dihydromethysticin on field potential changes in the hippocampus. Prog Neuropsychopharmacol Biol Psychiatry. 1997 May;21(4):697-706. [3]. Sarris J, et al. Kava: a comprehensive review of efficacy, safety, and psychopharmacology. Aust N Z J Psychiatry. 2011 Jan;45(1):27-35.

Description

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

Related Catalog

Signaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Natural Products >>OthersResearch Areas >>Others

References

[1]. Ma Y, et al. Desmethoxyyangonin and dihydromethysticin are two major pharmacological kavalactones with marked activity on the induction of CYP3A23. Drug Metab Dispos. 2004 Nov;32(11):1317-24.

[2]. Walden J, et al. Effects of kawain and dihydromethysticin on field potential changes in the hippocampus. Prog Neuropsychopharmacol Biol Psychiatry. 1997 May;21(4):697-706.

[3]. Sarris J, et al. Kava: a comprehensive review of efficacy, safety, and psychopharmacology. Aust N Z J Psychiatry. 2011 Jan;45(1):27-35.

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

Synonyms

2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-, (6S)-

(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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