Summary

IMPPAT Phytochemical identifier: IMPHY005001

Phytochemical name: Fukinone

Synonymous chemical names:
fukinone

External chemical identifiers:
CID:5317414, FDASRS:75K4CFH63H

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Chemical structure information

SMILES:
CC(=C1C[C@]2(C)[C@@H](C)CCC[C@@H]2CC1=O)C

InChI:
InChI=1S/C15H24O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h11-12H,5-9H2,1-4H3/t11-,12+,15+/m0/s1

InChIKey:
HMLGXKHWABZSIS-YWPYICTPSA-N

DeepSMILES:
CC=CC[C@]C)[C@@H]C)CCC[C@@H]6CC%10=O)))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCCCC2CC1=O

Scaffold Graph/Node level:
CC1CC2CCCCC2CC1O

Scaffold Graph level:
CC1CC2CCCCC2CC1C

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 2.375

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Chemical structure download