Summary

IMPPAT Phytochemical identifier: IMPHY016895

Phytochemical name: gamma-Gurjunene epoxide

Synonymous chemical names:
γ-gurjunene epoxide

External chemical identifiers:
CID:91750423

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@H]([C@@H]2C3(C1O3)C(C)CC2)C)C

InChI:
InChI=1S/C15H26O/c1-9(2)12-7-5-10(3)13-8-6-11(4)15(13)14(12)16-15/h9-14H,5-8H2,1-4H3/t10-,11?,12+,13-,14?,15?/m1/s1

InChIKey:
YWPRRALOHVWEQD-JYKMLDHHSA-N

DeepSMILES:
CC[C@@H]CC[C@H][C@@H]CC7O3))CC)CC5)))))C)))))C

Functional groups:
CC1(C)OC1C

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.466

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Chemical structure download