Summary

IMPPAT Phytochemical identifier: IMPHY014356

Phytochemical name: Anthracene-1,8-diol

Synonymous chemical names:
1,8-di-oh-anthracene

External chemical identifiers:
CID:19786014, ChEMBL:CHEMBL3277319, SureChEMBL:SCHEMBL430311

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Chemical structure information

SMILES:
Oc1cccc2c1cc1c(c2)cccc1O

InChI:
InChI=1S/C14H10O2/c15-13-5-1-3-9-7-10-4-2-6-14(16)12(10)8-11(9)13/h1-8,15-16H

InChIKey:
WUDFEXSJURUGSD-UHFFFAOYSA-N

DeepSMILES:
Occcccc6cccc6)cccc6O

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2cc3ccccc3cc2c1

Scaffold Graph/Node level:
C1CCC2CC3CCCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthalenes and derivatives

NP-Likeness score: 0.211

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Chemical structure download