Summary

IMPPAT Phytochemical identifier: IMPHY008781

Phytochemical name: Ficaprenol 12

Synonymous chemical names:
ficaprenol-12

External chemical identifiers:
CID:14380582, ZINC:ZINC000255197967

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Chemical structure information

SMILES:
OC/C=C(CC/C=C(CC/C=C(CC/C=C(CC/C=C(CC/C=C(CC/C=C(CC/C=C(CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)/C)/C)/C)/C)/C)/C)/C)/C

InChI:
InChI=1S/C60H98O/c1-49(2)25-14-26-50(3)27-15-28-51(4)29-16-30-52(5)31-17-32-53(6)33-18-34-54(7)35-19-36-55(8)37-20-38-56(9)39-21-40-57(10)41-22-42-58(11)43-23-44-59(12)45-24-46-60(13)47-48-61/h25,27,29,31,33,35,37,39,41,43,45,47,61H,14-24,26,28,30,32,34,36,38,40,42,44,46,48H2,1-13H3/b50-27+,51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-

InChIKey:
BDMCAOBQLHJGBE-CTPVASEHSA-N

DeepSMILES:
OC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=CCC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C)))))/C)))))/C)))))/C)))))/C)))))/C)))))/C)))))/C)))))/C

Functional groups:
C/C=C(/C)C, C/C=C(C)C, CC=C(C)C, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Polyprenols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Polyprenols

NP Classifier Class: Bactoprenols

NP-Likeness score: 0.575

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Chemical structure download