Summary

IMPPAT Phytochemical identifier: IMPHY016605

Phytochemical name: Epoxycyperene

Synonymous chemical names:
cyperene epoxide

External chemical identifiers:
CID:12308850

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Chemical structure information

SMILES:
CC1CCC2C(C31CCC1(C3(C2)O1)C)(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-6-11-9-15-13(4,16-15)7-8-14(10,15)12(11,2)3/h10-11H,5-9H2,1-4H3

InChIKey:
ZIEAVLBEUVSHIU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC6CCCC5C8)O3))C)))))C)C

Functional groups:
CC1(C)OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3(C1)CCC1OC13C2

Scaffold Graph/Node level:
C1CC2CC3(C1)CCC1OC13C2

Scaffold Graph level:
C1CC2CC3(C1)CCC1CC13C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Patchoulane sesquiterpenoids

NP-Likeness score: 2.966

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Chemical structure download