Summary

IMPPAT Phytochemical identifier: IMPHY017860

Phytochemical name: beta-Cedrene epoxide

Synonymous chemical names:
β-cedrene epoxide

External chemical identifiers:
CID:91749511

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@@]31CCC1(C(C3)C2(C)C)CO1

InChI:
InChI=1S/C15H24O/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12)9-16-15/h10-12H,4-9H2,1-3H3/t10-,11+,12?,14+,15?/m1/s1

InChIKey:
BWDPPCMUUFETAC-IFWOFNKPSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@]5CCCCC6)C7C)C)))CO3

Functional groups:
CC1(C)CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CC2(C1)CCC31CO1

Scaffold Graph/Node level:
C1CC2CC3CC2(C1)CCC31CO1

Scaffold Graph level:
C1CC2CC3CC2(C1)CCC31CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.934

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Chemical structure download