Summary

IMPPAT Phytochemical identifier: IMPHY000885

Phytochemical name: Rosinidin

Synonymous chemical names:
7,3'-o-dimethylcyanidin, rosinidin

External chemical identifiers:
CID:441777, ChEBI:8893, ZINC:ZINC000000897732

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Chemical structure information

SMILES:
COc1cc(O)c2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1

InChIKey:
GNONHFYAESLOCB-UHFFFAOYSA-O

DeepSMILES:
COcccO)ccc6)[o+]ccc6)O))cccccc6)OC)))O

Functional groups:
cO, cOC, c[o+]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(-c2ccc3ccccc3[o+]2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Anthocyanidins

NP-Likeness score: 1.296

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Chemical structure download