Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018091

Phytochemical name: Diepi-alpha-cedrene epoxide

Synonymous chemical names:
Diepi-alpha-cedrene epoxide

External chemical identifiers:
CID:CID_11074926

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@H]2[C@]31CC1OC1([C@H](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/t9-,10+,11-,12?,14?,15+/m1/s1

InChIKey:
HZRFVTRTTXBHSE-XINGSWNJSA-N

DeepSMILES:
C[C@@H]CC[C@@H][C@@]5CCOC3[C@H]C7)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