Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011116

Phytochemical name: alpha-Pinene-oxide

Synonymous chemical names:
alpha pinene oxide, alpha-Pinene oxide, alpha-pinene epoxide, apinene oxide, alpha-pinene oxide, α- pinene oxide

External chemical identifiers:
CID:CID_439800, CID:CID_91508, MolPort-002-507-162

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Chemical structure information

SMILES:
CC1(C)[C@@H]2CC3C([C@H]1C2)(C)O3

InChI:
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3/t6-,7-,8?,10?/m0/s1

InChIKey:
NQFUSWIGRKFAHK-KEMUHUQJSA-N

DeepSMILES:
CCC)[C@@H]CCC[C@H]6C6))C)O3

Functional groups:
CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC1C1OC1C2

Scaffold Graph/Node level:
C1C2CC1C1OC1C2

Scaffold Graph level:
C1C2CC1C1CC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Pinane monoterpenoids

NP-Likeness score: 3.117

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Chemical structure download