Phyllosterone
PubChem CID: 14489133
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | phyllosterone, CHEMBL1086632, 1-(4-hydroxy-3-methoxyphenyl)-2-(1-methyl-2-pyrrolidinyl)ethanone |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C14H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LBNRVYIIEPDWHO-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.603 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.264 |
| Compound Name | Phyllosterone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 249.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 249.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4708886666666667 |
| Inchi | InChI=1S/C14H19NO3/c1-15-7-3-4-11(15)9-13(17)10-5-6-12(16)14(8-10)18-2/h5-6,8,11,16H,3-4,7,9H2,1-2H3 |
| Smiles | CN1CCCC1CC(=O)C2=CC(=C(C=C2)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Septica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all