Summary

IMPPAT Phytochemical identifier: IMPHY002588

Phytochemical name: Flavylium

Synonymous chemical names:
anthocyanidin, anthocyanin, anthocyanins, anththocyanin, antyocyanins, leucoanthocyanin, red anthocyanin

External chemical identifiers:
CID:145858, ChEBI:36121, ZINC:ZINC000001670024, SureChEMBL:SCHEMBL342020

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Chemical structure information

SMILES:
c1ccc(cc1)c1ccc2c([o+]1)cccc2

InChI:
InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1

InChIKey:
NWKFECICNXDNOQ-UHFFFAOYSA-N

DeepSMILES:
cccccc6))ccccc[o+]6)cccc6

Functional groups:
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: Anthocyanidins

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Anthocyanidins

NP-Likeness score: 0.574

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Chemical structure download