Summary

IMPPAT Phytochemical identifier: IMPHY007274

Phytochemical name: 9,10-Phenanthrenequinone

Synonymous chemical names:
phenanthraquinone

External chemical identifiers:
CID:6763, ChEMBL:CHEMBL51931, ChEBI:37454, ZINC:ZINC000001529614, FDASRS:42L7BZ8H74, SureChEMBL:SCHEMBL43050, MolPort-000-639-548

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Chemical structure information

SMILES:
O=C1C(=O)c2ccccc2-c2c1cccc2

InChI:
InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H

InChIKey:
YYVYAPXYZVYDHN-UHFFFAOYSA-N

DeepSMILES:
O=CC=O)cccccc6-cc%10cccc6

Functional groups:
cC(=O)C(c)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=O)c2ccccc2-c2ccccc21

Scaffold Graph/Node level:
OC1C(O)C2CCCCC2C2CCCCC12

Scaffold Graph level:
CC1C(C)C2CCCCC2C2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

ClassyFire Subclass: Phenanthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 0.075

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Chemical structure download