U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31O16.Cl
Molecular Weight 646.978
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYANIDIN CHLORIDE 3,5-DIGLUCOSIDE

SMILES

[Cl-].OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(C4=CC=C(O)C(O)=C4)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=QDVZZZBBPRFPDG-DHJOXOLYSA-N
InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
75.0 mM [IC50]
Patents

Patents

Name Type Language
CYANIDIN CHLORIDE 3,5-DIGLUCOSIDE
MI  
Common Name English
CYANIDOL 3,5-DIGLUCOSIDE CHLORIDE
Common Name English
CYANIN CHLORIDE
Common Name English
NSC-81163
Code English
1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-3,5-BIS(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, CHLORIDE
Common Name English
SHISONIN A
Common Name English
CYANIDIN CHLORIDE 3,5-DIGLUCOSIDE [MI]
Common Name English
3,5-BIS(GLUCOSYLOXY)-3',4',7-TRIHYDROXYFLAVYLIUM CHLORIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40949000
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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WIKIPEDIA
Cyanidin-3,5-O-diglucoside
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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MERCK INDEX
m3947
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
PRIMARY Merck Index
PUBCHEM
164999
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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CAS
2611-67-8
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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FDA UNII
UTH12733J3
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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ECHA (EC/EINECS)
220-034-1
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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NSC
81163
Created by admin on Fri Dec 15 19:42:27 GMT 2023 , Edited by admin on Fri Dec 15 19:42:27 GMT 2023
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