GARDENIN A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22O9
Molecular Weight	418.394
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC1=CC(=CC(OC)=C1OC)C2=CC(=O)C3=C(O)C(OC)=C(OC)C(OC)=C3O2

InChI

InChIKey=MQBFFYQCZCKSBX-UHFFFAOYSA-N

InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524

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Name

Type

Language

GARDENIN A

Common Name

English

NSC-94889

Preferred Name

English

5-HYDROXY-3',4',5',6,7,8-HEXAMETHOXYFLAVONE

Systematic Name

English

4H-1-BENZOPYRAN-4-ONE, 5-HYDROXY-6,7,8-TRIMETHOXY-2-(3,4,5-TRIMETHOXYPHENYL)-

Systematic Name

English

GARDENIN

Common Name

English

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Code System

Code

Type

Description

FDA UNII

24J0W87Z43

PRIMARY

PUBCHEM

261859

PRIMARY

CAS

21187-73-5

PRIMARY

EPA CompTox

DTXSID30175417

PRIMARY

MERCK INDEX

m5669

PRIMARY

Merck Index

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SUBSTANCE RECORD


					24J0W87Z43

GARDENIN A