Summary

IMPPAT Phytochemical identifier: IMPHY016637

Phytochemical name: Eremophila ketone

Synonymous chemical names:
eremophila ketone

External chemical identifiers:
CID:73802832

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Chemical structure information

SMILES:
CC1CCC2C31CCC(C3)(C)C(=O)C2(C)C

InChI:
InChI=1S/C15H24O/c1-10-5-6-11-13(2,3)12(16)14(4)7-8-15(10,11)9-14/h10-11H,5-9H2,1-4H3

InChIKey:
FKIMAXRXZJXZBA-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCCC5)C)C=O)C7C)C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCC23CCC1C3

Scaffold Graph/Node level:
OC1CC2CCCC23CCC1C3

Scaffold Graph level:
CC1CC2CCCC23CCC1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eremophilane sesquiterpenoids

NP-Likeness score: 2.46

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Chemical structure download