KOLAFLAVANONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H24O12
Molecular Weight	588.5151
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O)C=C(C=C1)[C@H]2OC3=C([C@@H]4[C@H](OC5=CC(O)=CC(O)=C5C4=O)C6=CC=C(O)C=C6)C(O)=CC(O)=C3C(=O)[C@@H]2O

InChI

InChIKey=GJWXCPDVDRIBKP-CNTBMXMRSA-N

InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H24O12
Molecular Weight	588.5151
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:55:04 GMT 2023` Edited by `admin` on `Fri Dec 15 17:55:04 GMT 2023`
Record UNII	VY4E467596
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KOLAFLAVANONE

Common Name

English

(3,8'-BI-4H-1-BENZOPYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-3',5,5',7,7'-PENTAHYDROXY-2'-(3-HYDROXY-4-METHOXYPHENYL)-2-(4-HYDROXYPHENYL)-, (2S-(2.ALPHA.,3.BETA.(2'S*,3'S*)))-

Systematic Name

English

(3,8'-BI-4H-1-BENZOPYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-3',5,5',7,7'-PENTAHYDROXY-2'-(3-HYDROXY-4-METHOXYPHENYL)-2-(4-HYDROXYPHENYL)-, (2S,2'R,3R,3'R)-

Systematic Name

English

Code System Code Type Description

CHEBI

28521

Created by admin on Fri Dec 15 17:55:05 GMT 2023 , Edited by admin on Fri Dec 15 17:55:05 GMT 2023

PRIMARY

CAS

68705-66-8

Created by admin on Fri Dec 15 17:55:05 GMT 2023 , Edited by admin on Fri Dec 15 17:55:05 GMT 2023

PRIMARY

PUBCHEM

155169

Created by admin on Fri Dec 15 17:55:05 GMT 2023 , Edited by admin on Fri Dec 15 17:55:05 GMT 2023

PRIMARY

FDA UNII

VY4E467596

Created by admin on Fri Dec 15 17:55:05 GMT 2023 , Edited by admin on Fri Dec 15 17:55:05 GMT 2023

PRIMARY