Summary

IMPPAT Phytochemical identifier: IMPHY006985

Phytochemical name: 1-Hydroxy-2-methoxyanthraquinone

Synonymous chemical names:
1-hydroxy-2-methoxyanthraquinone

External chemical identifiers:
CID:80103, ChEMBL:CHEMBL451977, ChEBI:2575, ZINC:ZINC000004042240, SureChEMBL:SCHEMBL1426486, MolPort-000-721-538

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Chemical structure information

SMILES:
COc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C15H10O4/c1-19-11-7-6-10-12(15(11)18)14(17)9-5-3-2-4-8(9)13(10)16/h2-7,18H,1H3

InChIKey:
BYQWRZGQEZAOPQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))C=O)ccC6=O))cccc6

Functional groups:
cC(c)=O, cO, cOC

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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: 0.864

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Chemical structure download