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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 of PETUNIDIN 3-GLUCOSIDE

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

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Name Type Language
PETUNIDIN 3-GLUCOSIDE
Common Name English
PETUNIDIN MONOGLUCOSIDE
Common Name English
1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-3,5,7-TRIHYDROXY-, CHLORIDE (1:1), MONO-.BETA.-D-GLUCOPYRANOSIDE
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
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY
FDA UNII
AA9G36JBHT
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY
PUBCHEM
176449
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID40990158
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY
WIKIPEDIA
Petunidin-3-glucoside
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY
CAS
6988-81-4
Created by admin on Fri Dec 15 17:51:42 GMT 2023 , Edited by admin on Fri Dec 15 17:51:42 GMT 2023
PRIMARY