Dihydrocapsiate
PubChem CID: 9873754
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| Compound Synonyms | dihydrocapsiate, 205687-03-2, 4-Hydroxy-3-methoxybenzyl 8-methylnonanoate, (4-HYDROXY-3-METHOXYPHENYL)METHYL 8-METHYLNONANOATE, Nonanoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, UNII-W2F7769AEU, CCRIS 9424, W2F7769AEU, DTXSID80174576, (4-HYDROXY-3-METHOXYBENZYL) 8-METHYLNONANOATE, Dihydrocapsiic acid, MFCD29917840, Vanillyl 8-methylnonanoate, Dihydrocapsiate (Standard), SCHEMBL1585862, DTXCID2097067, CHEBI:174951, RBCYRZPENADQGZ-UHFFFAOYSA-N, Dihydrocapsiate, analytical standard, DB15398, FD71845, HY-124073R, MS-24475, 4-Hydroxy-3-methoxybenzyl8-methylnonanoate, HY-124073, CS-0084100, NS00124899, G14634, Q27292214, (4-Hydroxy-3-methoxyphenyl)methyl 8-methylnonanoic acid, 8-Methylnonanoic Acid (4-Hydroxy-3-methoxyphenyl)methyl Ester, 859-192-7 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Description | Constituent of fruits of Capsicum annuum. Dihydrocapsiate is found in many foods, some of which are orange bell pepper, herbs and spices, fruits, and italian sweet red pepper. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 303.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4-hydroxy-3-methoxyphenyl)methyl 8-methylnonanoate |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C18H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBCYRZPENADQGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -4.875 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.687 |
| Synonyms | 4-Hydroxy-3-methoxybenzyl 8-methylnonanoate, Dihydrocapsiate |
| Compound Name | Dihydrocapsiate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.384309781818182 |
| Inchi | InChI=1S/C18H28O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h10-12,14,19H,4-9,13H2,1-3H3 |
| Smiles | CC(C)CCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients