Pterolinus A
PubChem CID: 53262810
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pterolinus A, CHEBI:67381, CHEMBL1801598, DTXSID701169850, Q27135839, 5-Benzofuranol, 3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2-methyl-, 3-(3-Hydroxy-4-methoxyphenyl)-6-methoxy-2-methyl-1-benzofuran-5-ol, 1297315-11-7 |
|---|---|
| Topological Polar Surface Area | 72.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 3-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2-methyl-1-benzofuran-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZQLLSZOQHBGUJG-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.408 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.328 |
| Compound Name | Pterolinus A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.263867454545454 |
| Inchi | InChI=1S/C17H16O5/c1-9-17(10-4-5-14(20-2)12(18)6-10)11-7-13(19)16(21-3)8-15(11)22-9/h4-8,18-19H,1-3H3 |
| Smiles | CC1=C(C2=CC(=C(C=C2O1)OC)O)C3=CC(=C(C=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all