Summary

IMPPAT Phytochemical identifier: IMPHY011100

Phytochemical name: alpha-Cedrene epoxide

Synonymous chemical names:
alpha-cedrene epoxide, cedrene epoxide, α-cedrene epoxide

External chemical identifiers:
CID:122510, ChEBI:167349, SureChEMBL:SCHEMBL1640421

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Chemical structure information

SMILES:
CC1CCC2C31CC1OC1(C(C3)C2(C)C)C

InChI:
InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3

InChIKey:
HZRFVTRTTXBHSE-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCOC3CC7)C8C)C)))C

Functional groups:
CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CC2(C1)CC1OC31

Scaffold Graph/Node level:
C1CC2CC3CC2(C1)CC1OC31

Scaffold Graph level:
C1CC2CC3CC2(C1)CC1CC13

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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: 3.046

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Chemical structure download