Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000835

Phytochemical name: Perillene

Synonymous chemical names:
perillen, perillene, perillene+, Perillene

External chemical identifiers:
CID:CID_68316, ChEBI:CHEBI:74039, ZINC:ZINC000001846557, SureChEMBL:SCHEMBL310752, MolPort-044-726-319

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Chemical structure information

SMILES:
CC(=CCCc1cocc1)C

InChI:
InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3

InChIKey:
XNGKCOFXDHYSGR-UHFFFAOYSA-N

DeepSMILES:
CC=CCCccocc5))))))))C

Functional groups:
CC=C(C)C, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.248

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Chemical structure download