Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005049

Phytochemical name: Saikodiyne C

Synonymous chemical names:
Saikodiyne C, saikodiyne c

External chemical identifiers:
CID:CID_14841159, ZINC:ZINC000238780295

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Chemical structure information

SMILES:
CCCCC/C=C/CC#CC#C/C=C/COC(=O)C

InChI:
InChI=1S/C17H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h7-8,14-15H,3-6,9,16H2,1-2H3/b8-7+,15-14+

InChIKey:
IGNIYJTXYTUVGD-BTOGOYLPSA-N

DeepSMILES:
CCCCC/C=C/CC#CC#C/C=C/COC=O)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.836

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Chemical structure download