Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017933

Phytochemical name: Prodlure

Synonymous chemical names:
Prodlure

External chemical identifiers:
CID:CID_6441057, ZINC:ZINC000031333933, FDASRS:D9YH588N7G, SureChEMBL:SCHEMBL556183, Molport-006-109-476

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Chemical structure information

SMILES:
CC/C=C/C=C\CCCCCCCCOC(=O)C

InChI:
InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-

InChIKey:
RFEQLTBBKNKGGJ-DEQVHDEQSA-N

DeepSMILES:
CC/C=C/C=C\CCCCCCCCOC=O)C

Functional groups:
C/C=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 esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.49

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Chemical structure download