Homocapsaicin II
PubChem CID: 11674147
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| Compound Synonyms | Homocapsaicin II, 71240-51-2, HomocapsaicinII, (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide, HOMOCAPSAICIN-II, SCHEMBL117203, SCHEMBL4882096, trans-8-ethyl-N-vanillyl-6-nonenamide, DA-74254, NS00094414, E80596, Q10860892, (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methyldec-6-enamide |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyldec-6-enamide |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C19H29NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MLJGZARGNROKAC-VQHVLOKHSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -3.829 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.765 |
| Compound Name | Homocapsaicin II |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 319.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 319.215 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 319.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.2831024782608695 |
| Inchi | InChI=1S/C19H29NO3/c1-4-15(2)9-7-5-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+ |
| Smiles | CCC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients