Solanesol
Representations & DB's id
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| ChEBI: | CHEBI:26718 | |
|---|---|---|
| ChEMBL: | CHEMBL1567436 | |
| PubChem: | 5477212 | |
| IUPAC: | (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol | |
| Standard 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+ | |
| Standard InChI Key: | AFPLNGZPBSKHHQ-MEGGAXOGSA-N | |
| 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 | |
Molecular propeties
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| AlogP: | 14.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 25 | |
| Number of rings: | 0 | |
| Molecular Weight: | 630.57 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 45 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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