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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O11.Cl
Molecular Weight 484.8386
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYANIDIN 3-GALACTOSIDE

SMILES

c1cc(c(cc1-c2c(cc3c(cc(cc3[o+]2)O)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@]([H])([C@@]([H])(CO)O4)O)O)O)[O-])O.Cl

InChI

InChIKey=YTMNONATNXDQJF-QSLGVYCOSA-N
InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C21H20O11
Molecular Weight 448.3777
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P06788
Gene ID: NA
Gene Symbol: E7
Target Organism: Human papillomavirus type 18
Target ID: P06463
Gene ID: 1489088
Gene Symbol: E6
Target Organism: Human papillomavirus type 18
PubMed

PubMed

TitleDatePubMed
The anthocyanidins cyanidin and delphinidin are potent inhibitors of the epidermal growth-factor receptor.
2001 Feb
Maize Lc transcription factor enhances biosynthesis of anthocyanins, distinct proanthocyanidins and phenylpropanoids in apple (Malus domestica Borkh.).
2007 Oct
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:13:16 UTC 2021
Edited
by admin
on Fri Jun 25 23:13:16 UTC 2021
Record UNII
FC7L938Y12
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANIDIN 3-GALACTOSIDE
Common Name English
CYANIDIN 3-O-.BETA.-GALACTOPYRANOSIDE CHLORIDE
Common Name English
CYANIDIN-3-O-GALACTOSIDE
Common Name English
1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-, CHLORIDE
Common Name English
IDEIN CHLORIDE
Common Name English
IDAEIN CHLORIDE
Common Name English
CYANIDIN 3-O-.BETA.-D-GALACTOPYRANOSIDE CHLORIDE
Common Name English
3-(GALACTOSYLOXY)-3',4',5,7-TETRAHYDROXYFLAVYLIUM CHLORIDE
Common Name English
IDEAIN
Common Name English
CYANIDIN 3-O-GALACTOSIDE CHLORIDE
Common Name English
IDEANIN
Common Name English
IDEIN
Common Name English
IDAEIN
Common Name English
CYANIDIN CHLORIDE 3-GALACTOSIDE [MI]
Common Name English
CYANIDIN 3-GALACTOSIDE CHLORIDE
Common Name English
Code System Code Type Description
CAS
27661-36-5
Created by admin on Fri Jun 25 23:13:16 UTC 2021 , Edited by admin on Fri Jun 25 23:13:16 UTC 2021
PRIMARY
PUBCHEM
176457
Created by admin on Fri Jun 25 23:13:16 UTC 2021 , Edited by admin on Fri Jun 25 23:13:16 UTC 2021
PRIMARY
MERCK INDEX
M3947
Created by admin on Fri Jun 25 23:13:16 UTC 2021 , Edited by admin on Fri Jun 25 23:13:16 UTC 2021
PRIMARY Merck Index
FDA UNII
FC7L938Y12
Created by admin on Fri Jun 25 23:13:16 UTC 2021 , Edited by admin on Fri Jun 25 23:13:16 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Secondary metabolite detected in developing cacao seeds.