Summary

IMPPAT Phytochemical identifier: IMPHY013578

Phytochemical name: Epoxybulnesene

Synonymous chemical names:
epoxybulnesene

External chemical identifiers:
CID:91753519

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Chemical structure information

SMILES:
CC(=C)[C@H]1CCC2(C3(C(C1)[C@H](C)CC3)O2)C

InChI:
InChI=1S/C15H24O/c1-10(2)12-6-7-14(4)15(16-14)8-5-11(3)13(15)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12+,13?,14?,15?/m1/s1

InChIKey:
OQZCYVPJJHEMSP-MDKBLUTQSA-N

DeepSMILES:
CC=C)[C@H]CCCCCC7)[C@H]C)CC5))))O3))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC23CCCC3C1

Scaffold Graph/Node level:
C1CCC2OC23CCCC3C1

Scaffold Graph level:
C1CCC2CC23CCCC3C1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 3.426

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Chemical structure download