Dihydroparadol
PubChem CID: 10378937
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydroparadol, 6-Dihydroparadol, CHEMBL1094101, 143111-84-6, Rac-6-Dihydroparadol, SCHEMBL17527385, BDBM50317419, 4-(3-hydroxydecyl)-2-methoxy-phenol, FS-10644, 3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decane |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P08908, n.a. |
| Iupac Name | 4-(3-hydroxydecyl)-2-methoxyphenol |
| Prediction Hob | 0.0 |
| Target Id | NPT92 |
| Xlogp | 4.3 |
| Molecular Formula | C17H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFOMASIWHAPFEW-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.36 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.879 |
| Compound Name | Dihydroparadol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 280.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0511296 |
| Inchi | InChI=1S/C17H28O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,15,18-19H,3-9,11H2,1-2H3 |
| Smiles | CCCCCCCC(CCC1=CC(=C(C=C1)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all