Summary

IMPPAT Phytochemical identifier: IMPHY016495

Phytochemical name: 9,11-Eremophiladien-8-one

Synonymous chemical names:
9,11-eremophiladien-8-one

External chemical identifiers:
CID:14482758

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Chemical structure information

SMILES:
CC(=C)C1CC2(C)C(C)CCCC2=CC1=O

InChI:
InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11,13H,1,5-7,9H2,2-4H3

InChIKey:
DIZRSLUNVNGBPA-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCC)CC)CCCC6=CC%10=O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2CC1

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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, Valerane sesquiterpenoids

NP-Likeness score: 2.762

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Chemical structure download