Summary

IMPPAT Phytochemical identifier: IMPHY017329

Phytochemical name: alpha-Phellandrene epoxide

Synonymous chemical names:
α-phellandrene epoxide

External chemical identifiers:
CID:527087

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Chemical structure information

SMILES:
CC(C1C=CC2(C(C1)O2)C)C

InChI:
InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h4-5,7-9H,6H2,1-3H3

InChIKey:
YYOYQZIEGSUHQG-UHFFFAOYSA-N

DeepSMILES:
CCCC=CCCC6)O3))C)))))C

Functional groups:
CC12C=CCCC1O2

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2OC2CC1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2.586

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Chemical structure download