Summary

IMPPAT Phytochemical identifier: IMPHY004674

Phytochemical name: Falcarinone

Synonymous chemical names:
falcarinone

External chemical identifiers:
CID:5281150, ChEMBL:CHEMBL1973480, ChEBI:4973, ZINC:ZINC000008221113

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Chemical structure information

SMILES:
CCCCCCC/C=CCC#CC#CC(=O)C=C

InChI:
InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-

InChIKey:
UQEBOJRXTNLPKZ-KHPPLWFESA-N

DeepSMILES:
CCCCCCC/C=CCC#CC#CC=O)C=C

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

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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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.533

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Chemical structure download