Gingerenone A

HCID 5281775

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Basic information

CAS: 128700-97-0
Standard SMILES: COc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)ccc1O
InChIKey: FWDXZNKYDTXGOT-GQCTYLIASA-N
Molecular formula: C21H24O5
Average molar mass: 356.4 g/mol
Monoisotopic mass: 356.16237387

Overview

Gingerenone A is a diarylheptanoid.

Names & identifiers

Preferred name: Gingerenone A
IUPAC: (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
English name: Gingerenone A
Molecular formula: C21H24O5
Molecular weight: 356.41

Names & synonyms

Gingerenone A128700-97-0(E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one(4E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-oneRefChem:922215(E)-Gingerenone A1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-oneAS-HK014DTXSID50873741C104604-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (4E)-HY-120912

Show more names

(E)-1,7-Bis(3-methoxy-4-hydroxyphenyl)-4-hepten-3-oneGenerenoneA.Gingerenone A, 10 mM in DMSO

(E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hept-4-en-3-one4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (E)-Gingerone AGingerenone A?(4E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-4-hepten-3-one; (E)-1,7-bis(4-Hydroxy-3-methoxyphenyl)-4-hepten-3-one;4-Hepten-3-one, 1,7-bis(4-hydroxy-3-methoxyphenyl)-CHEBI:5352orb1680964

Database identifiers

CAS: 128700-97-0
PubChem CID: 5281775
DTXSID: DTXSID50873741
ChEMBL: CHEMBL1086746
ChEBI: CHEBI:5352
Nikkaji: J282.842A

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 76 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 26
Formal charge: 0
Complexity: 450

Physicochemical properties

Boiling point: 571.3 · 571.3±50.0 °C(Predicted)
Density: 1.183 · 1.183±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Ethanol (Slightly)
form: Oil
pka: 10.01 · 10.01±0.20(Predicted)
color: Light Yellow to Yellow
InChI: InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4+
InChIKey: FWDXZNKYDTXGOT-GQCTYLIASA-N
SMILES: C(C1=CC=C(O)C(OC)=C1)CC(=O)/C=C/CCC1=CC=C(O)C(OC)=C1
UNSPSC Code: 12352200 · 12352200
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07,GHS08,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H372-H410
Precautionary statements: 501 · P501-P273-P260-P264-P391-P308+P311
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Danger
Symbol(GHS): GHS07,GHS08,GHS09
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H372-H410
Precautionary statements: P501-P273-P260-P264-P391-P308+P311

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesGingerenone A is an antifungal and antiparasitic diarylheptenone that is isolated from Zingiber officinale (more commonly known as ginger), a medicinal plant that is used to treat inflammation and musculoskeletal disorders.

Suppliers79 total

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

銘瑞集團有限公司17318633522 · [email protected]

成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Additional notes

DefinitionChEBI: Gingerenone A is a diarylheptanoid.

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