Summary

IMPPAT Phytochemical identifier: IMPHY017873

Phytochemical name: Chrysanthenone epoxide

Synonymous chemical names:
chrysanthenone epoxide

External chemical identifiers:
CID:91750184

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Chemical structure information

SMILES:
O=C1C2CC3C(C1C2(C)C)(C)O3

InChI:
InChI=1S/C10H14O2/c1-9(2)5-4-6-10(3,12-6)8(9)7(5)11/h5-6,8H,4H2,1-3H3

InChIKey:
MJKUEDLCFFNGOC-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC6C6C)C)))C)O3

Functional groups:
CC(C)=O, CC1OC1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2CC3OC3C1C2

Scaffold Graph/Node level:
OC1C2CC3OC3C1C2

Scaffold Graph level:
CC1C2CC3CC3C1C2

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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: Carane monoterpenoids

NP-Likeness score: 2.722

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Chemical structure download