Summary

IMPPAT Phytochemical identifier: IMPHY011544

Phytochemical name: 1-Hydroxy-2-methylanthraquinone

Synonymous chemical names:
1-hydroxy-2-methyl anthraquinone, 1-hydroxy-2-methyl-9,10-anthraquinone, 1-hydroxy-2-methyl-9,10-antrhaquinone, 1-hydroxy-2-methyl-anthraquinone, 1-hydroxy-2-methylanthraquinone, 2-methyl-1-hydroxy-9,10-anthraquinone

External chemical identifiers:
CID:160817, ChEMBL:CHEMBL42302, ChEBI:69534, ZINC:ZINC000004783164, SureChEMBL:SCHEMBL1426900, MolPort-001-829-864

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Chemical structure information

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

InChI:
InChI=1S/C15H10O3/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7,16H,1H3

InChIKey:
CZODYZFOLUNSFR-UHFFFAOYSA-N

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

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: 0.796

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Chemical structure download