Summary

IMPPAT Phytochemical identifier: IMPHY008180

Phytochemical name: Alizarin

Synonymous chemical names:
alizarin, free alizarin

External chemical identifiers:
CID:6293, ChEMBL:CHEMBL55814, ChEBI:16866, ZINC:ZINC000003860973, FDASRS:60MEW57T9G, SureChEMBL:SCHEMBL18614, MolPort-001-783-920

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Chemical structure information

SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2O)O

InChI:
InChI=1S/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H

InChIKey:
RGCKGOZRHPZPFP-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6C=O)cc%10cccc6O))O

Functional groups:
cC(c)=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: 1.014

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Chemical structure download