6-Methoxysorigenin
PubChem CID: 12442904
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| Compound Synonyms | 6-methoxysorigenin, 8,9-dihydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one, 8,9-dihydroxy-6-methoxy-3H-benzo(f)(2)benzofuran-1-one, 491-56-5, CHEMBL455630 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 344.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 8,9-dihydroxy-6-methoxy-3H-benzo[f][2]benzofuran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C13H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOHPIALGJUPOAZ-UHFFFAOYSA-N |
| Fcsp3 | 0.1538461538461538 |
| Logs | -3.236 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.667 |
| Compound Name | 6-Methoxysorigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 246.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2299627111111113 |
| Inchi | InChI=1S/C13H10O5/c1-17-8-3-6-2-7-5-18-13(16)11(7)12(15)10(6)9(14)4-8/h2-4,14-15H,5H2,1H3 |
| Smiles | COC1=CC(=C2C(=C1)C=C3COC(=O)C3=C2O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhamnus Nakaharai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all