Summary

IMPPAT Phytochemical identifier: IMPHY001512

Phytochemical name: (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-dione

Synonymous chemical names:
falcarindione

External chemical identifiers:
CID:15559227, ZINC:ZINC000225680556

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Chemical structure information

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

InChI:
InChI=1S/C17H20O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14H,2-3,5-9H2,1H3/b14-10-

InChIKey:
WFXDNWZWONCJFS-UVTDQMKNSA-N

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

Functional groups:
C=CC(=O)C#CC#CC(=O)/C=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: Oxygenated hydrocarbons

NP-Likeness score: 1.715

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Chemical structure download