Pterolinus J
PubChem CID: 53354914
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pterolinus J, CHEBI:67392, CHEMBL1801607, Q27135851, 4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromen-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JPDDZHNDOWJDCD-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.231 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.213 |
| Compound Name | Pterolinus J |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 302.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 302.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7911575636363644 |
| Inchi | InChI=1S/C17H18O5/c1-20-16-7-10(3-4-13(16)18)11-5-6-22-15-9-17(21-2)14(19)8-12(11)15/h3-4,7-9,11,18-19H,5-6H2,1-2H3 |
| Smiles | COC1=C(C=CC(=C1)C2CCOC3=CC(=C(C=C23)O)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