Summary

IMPPAT Phytochemical identifier: IMPHY015539

Phytochemical name: (2E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-2,7-dien-1-one

Synonymous chemical names:
c15h22o

External chemical identifiers:
CID:14106373

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Chemical structure information

SMILES:
C/C/1=CCC(=C(C)C)C(=O)/C=C(/CCC1)C

InChI:
InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h8,10H,5-7,9H2,1-4H3/b12-8+,13-10+

InChIKey:
NOWZBRLFRHWZOY-SDCOAONHSA-N

DeepSMILES:
C/C=CCC=CC)C))C=O)/C=C/CCC%10)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCCCC=CC1=O

Scaffold Graph/Node level:
CC1CCCCCCCCC1O

Scaffold Graph level:
CC1CCCCCCCCC1C

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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: Germacrane sesquiterpenoids

NP-Likeness score: 1.921

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Chemical structure download