6'',7''-Dihydro-5',5'''-Dicapsaicin
Representations & DB's id
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| ChEBI: | CHEBI:65771 | |
|---|---|---|
| ChEMBL: | CHEMBL454033 | |
| PubChem: | 10483873 | |
| IUPAC: | N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl]-5-methoxyphenyl]methyl]-8-methylnonanamide | |
| Standard InChI: | InChI=1S/C36H54N2O6/c1-25(2)15-11-7-9-13-17-33(39)37-23-27-19-29(35(41)31(21-27)43-5)30-20-28(22-32(44-6)36(30)42)24-38-34(40)18-14-10-8-12-16-26(3)4/h11,15,19-22,25-26,41-42H,7-10,12-14,16-18,23-24H2,1-6H3,(H,37,39)(H,38,40)/b15-11+ | |
| Standard InChI Key: | VONRPUZNFPTEEM-RVDMUPIBSA-N | |
| SMILES: | COc1cc(CN=C(CCCCCCC(C)C)O)cc(c1O)c1cc(CN=C(CCCC/C=C/C(C)C)O)cc(c1O)OC | |
Molecular propeties
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| AlogP: | 7.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 20 | |
| Number of rings: | 2 | |
| Molecular Weight: | 610.4 | |
| Topological polar surface area: | 117 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.556 | |
| Number of carbons: | 36 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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