Summary

IMPPAT Phytochemical identifier: IMPHY017811

Phytochemical name: Perylene

Synonymous chemical names:
perilene, perrilene, peryllene

External chemical identifiers:
CID:9142, ChEMBL:CHEMBL4296691, ChEBI:29861, ZINC:ZINC000001693568, FDASRS:5QD5427UN7, SureChEMBL:SCHEMBL26440, MolPort-000-639-583

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Chemical structure information

SMILES:
c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2

InChI:
InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

InChIKey:
CSHWQDPOILHKBI-UHFFFAOYSA-N

DeepSMILES:
cccccccc6cc%10)cccccc6c%10ccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

Scaffold Graph/Node level:
C1CC2CCCC3C4CCCC5CCCC(C(C1)C23)C54

Scaffold Graph level:
C1CC2CCCC3C4CCCC5CCCC(C(C1)C23)C54

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenanthrenes and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: 0.042

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Chemical structure download