Summary

IMPPAT Phytochemical identifier: IMPHY000347

Phytochemical name: Phenalen-1-one

Synonymous chemical names:
phenalenone

External chemical identifiers:
CID:11050, ChEMBL:CHEMBL227511, ZINC:ZINC000001744968, FDASRS:EVU6EX9G8H, SureChEMBL:SCHEMBL188491, MolPort-001-787-038

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Chemical structure information

SMILES:
O=C1C=Cc2c3c1cccc3ccc2

InChI:
InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H

InChIKey:
WWBGWPHHLRSTFI-UHFFFAOYSA-N

DeepSMILES:
O=CC=Cccc6cccc6ccc%10

Functional groups:
cC=CC(c)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2cccc3cccc1c23

Scaffold Graph/Node level:
OC1CCC2CCCC3CCCC1C32

Scaffold Graph level:
CC1CCC2CCCC3CCCC1C32

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenalenes

ClassyFire Subclass: Phenalenones

NP-Likeness score: 0.748

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Chemical structure download