Summary

IMPPAT Phytochemical identifier: IMPHY016663

Phytochemical name: Furanoeremophil-1-one

Synonymous chemical names:
furanoeremophil-1-one

External chemical identifiers:
CID:91749468

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Chemical structure information

SMILES:
O=C1CC[C@@H]([C@@]2(C1Cc1occ(c1C2)C)C)C

InChI:
InChI=1S/C15H20O2/c1-9-8-17-14-6-12-13(16)5-4-10(2)15(12,3)7-11(9)14/h8,10,12H,4-7H2,1-3H3/t10-,12?,15+/m0/s1

InChIKey:
MHEQQQWHNMVBFL-PJRDJYAKSA-N

DeepSMILES:
O=CCC[C@@H][C@@]C6Ccoccc5C9))C)))))))C))C

Functional groups:
CC(C)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC2Cc3ccoc3CC12

Scaffold Graph/Node level:
OC1CCCC2CC3CCOC3CC12

Scaffold Graph level:
CC1CCCC2CC3CCCC3CC12

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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: 2.582

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Chemical structure download