PETUNIDIN 3-GLUCOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23O12.Cl
Molecular Weight	514.864
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].COC1=CC(=CC(O)=C1O)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C4C(O)=CC(O)=CC4=[O+]2

InChI

InChIKey=HBKZHMZCXXQMOX-YATQZQGFSA-N

InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18-,19+,20-,22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Targets

Primary Target	Pharmacology	Condition	Potency
NAD-dependent deacetylase sirtuin 3 4 Target ID: CHEMBL4461 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29336479	Modulator 846

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:55:21 GMT 2025` Edited by `admin` on `Mon Mar 31 18:55:21 GMT 2025`
Record UNII	AA9G36JBHT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,5,7-TRIHYDROXY-, CHLORIDE (1:1), MONO-.BETA.-D-GLUCOPYRANOSIDE

Preferred Name

English

PETUNIDIN 3-GLUCOSIDE

Common Name

English

PETUNIDIN MONOGLUCOSIDE

Common Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-, CHLORIDE (1:1)

Common Name

English

PETUNIDIN-3-O-GLUCOSIDE

Common Name

English

PETUNIDIN 3-MONOGLUCOSIDE

Common Name

English

Code System Code Type Description

CHEBI

31985