Summary

IMPPAT Phytochemical identifier: IMPHY006117

Phytochemical name: Solanesol

Synonymous chemical names:
solanesol

External chemical identifiers:
CID:5477212, ChEMBL:CHEMBL1567436, ChEBI:26718, ZINC:ZINC000005273861, FDASRS:FF31XTR2N4, SureChEMBL:SCHEMBL182776, MolPort-003-665-932

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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(/CCC=C(C)C)C)C)C)C)C)C)C)C

InChI:
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+

InChIKey:
AFPLNGZPBSKHHQ-MEGGAXOGSA-N

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

Functional groups:
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: 0.762

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Chemical structure download