CACTICIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22O12
Molecular Weight	478.4029
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C(=O)C4=C(O)C=C(O)C=C4O2

InChI

InChIKey=CQLRUIIRRZYHHS-UVHBULKNSA-N

InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22O12
Molecular Weight	478.4029
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:38:00 GMT 2023` Edited by `admin` on `Fri Dec 15 20:38:00 GMT 2023`
Record UNII	12KOU8P94F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CACTICIN

Common Name

English

4H-1-BENZOPYRAN-4-ONE, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-

Systematic Name

English

3,4',5,7-TETRAHYDROXY-3'-METHOXYFLAVONE 3-.BETA.-D-GALACTOPYRANOSIDE

Systematic Name

English

ISORHAMNETIN 3-.BETA.-D-GALACTOPYRANOSIDE

Common Name

English

ISORHAMNETOL 3-O-GALACTOSIDE

Common Name

English

ISORHAMNETIN 3-GALACTOSIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90855824

Created by admin on Fri Dec 15 20:38:00 GMT 2023 , Edited by admin on Fri Dec 15 20:38:00 GMT 2023

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PUBCHEM

5318644

Created by admin on Fri Dec 15 20:38:00 GMT 2023 , Edited by admin on Fri Dec 15 20:38:00 GMT 2023

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CAS

6743-92-6

Created by admin on Fri Dec 15 20:38:00 GMT 2023 , Edited by admin on Fri Dec 15 20:38:00 GMT 2023

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FDA UNII

12KOU8P94F

Created by admin on Fri Dec 15 20:38:00 GMT 2023 , Edited by admin on Fri Dec 15 20:38:00 GMT 2023

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