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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
Structure of GARDENIN A

SMILES

COC1=CC(=CC(OC)=C1OC)C2=CC(=O)C3=C(O2)C(OC)=C(OC)C(OC)=C3O

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

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Name Type Language
GARDENIN A
MI  
Common 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
NSC-94889
Code English
GARDENIN
Common Name English
5-HYDROXY-6,7,8,3',4',5'-HEXAMETHOXYFLAVONE
Systematic Name English
GARDENIN A [MI]
Common Name English
Code System Code Type Description
FDA UNII
24J0W87Z43
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY
PUBCHEM
261859
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY
CAS
21187-73-5
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID30175417
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY
MERCK INDEX
m5669
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY Merck Index
NSC
94889
Created by admin on Fri Dec 15 15:36:16 GMT 2023 , Edited by admin on Fri Dec 15 15:36:16 GMT 2023
PRIMARY