Pulchelstyrene A
PubChem CID: 11219892
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | PULCHELSTYRENE A, 4-((Z)-3-(4-hydroxyphenyl)prop-1-enyl)-2,3-dimethoxyphenol, 4-[(Z)-3-(4-hydroxyphenyl)prop-1-enyl]-2,3-dimethoxyphenol, CHEMBL462720, 855281-30-0 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 323.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(Z)-3-(4-hydroxyphenyl)prop-1-enyl]-2,3-dimethoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UVYHFBPNPIAPBP-HYXAFXHYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.189 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.348 |
| Compound Name | Pulchelstyrene A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.051684542857143 |
| Inchi | InChI=1S/C17H18O4/c1-20-16-13(8-11-15(19)17(16)21-2)5-3-4-12-6-9-14(18)10-7-12/h3,5-11,18-19H,4H2,1-2H3/b5-3- |
| Smiles | COC1=C(C=CC(=C1OC)O)/C=C\CC2=CC=C(C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phyllodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all