Summary

IMPPAT Phytochemical identifier: IMPHY017402

Phytochemical name: Emulphor

Synonymous chemical names:
ethanol,2-(9-octadecenyloxy)-,(z)-

External chemical identifiers:
CID:5364713, ChEMBL:CHEMBL3183983, ZINC:ZINC000072186740, SureChEMBL:SCHEMBL285467

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Chemical structure information

SMILES:
CCCCCCCC/C=CCCCCCCCCOCCO

InChI:
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-

InChIKey:
KWVPFECTOKLOBL-KTKRTIGZSA-N

DeepSMILES:
CCCCCCCC/C=CCCCCCCCCOCCO

Functional groups:
C/C=CC, CO, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 0.629

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Chemical structure download