6'',7''-Dihydro-5',5'''-Dicapsaicin
PubChem CID: 10483873
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6'',7''-Dihydro-5',5'''-dicapsaicin, CHEBI:65771, (6E)-N-[(2',6-dihydroxy-3',5-dimethoxy-5'-{[(8-methylnonanoyl)amino]methyl}biphenyl-3-yl)methyl]-8-methylnon-6-enamide, N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl]-5-methoxyphenyl]methyl]-8-methylnonanamide, (6E)-N-((2',6-dihydroxy-3',5-dimethoxy-5'-(((8-methylnonanoyl)amino)methyl)biphenyl-3-yl)methyl)-8-methylnon-6-enamide, N-((4-hydroxy-3-(2-hydroxy-3-methoxy-5-((((E)-8-methylnon-6-enoyl)amino)methyl)phenyl)-5-methoxyphenyl)methyl)-8-methylnonanamide, CHEMBL454033, Q27134258 |
|---|---|
| Topological Polar Surface Area | 117.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 833.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | N-[[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[[[(E)-8-methylnon-6-enoyl]amino]methyl]phenyl]-5-methoxyphenyl]methyl]-8-methylnonanamide |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C36H54N2O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VONRPUZNFPTEEM-RVDMUPIBSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -2.273 |
| Rotatable Bond Count | 20.0 |
| Logd | 3.363 |
| Compound Name | 6'',7''-Dihydro-5',5'''-Dicapsaicin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 610.398 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 610.398 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 610.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.040401381818183 |
| 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+ |
| Smiles | CC(C)CCCCCCC(=O)NCC1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)CNC(=O)CCCC/C=C/C(C)C)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all