3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-6,8-dimethylchromen-4-one
PubChem CID: 145955601
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| Compound Synonyms | CHEMBL4170349 |
|---|---|
| Topological Polar Surface Area | 94.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 589.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-6,8-dimethylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C20H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPAIXOXPXDUQFF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | 0.07 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.285 |
| Compound Name | 3-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-5,7-dimethoxy-6,8-dimethylchromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.04943111851852 |
| Inchi | InChI=1S/C20H20O7/c1-9-17(25-4)10(2)19-14(18(9)26-5)15(22)16(23)20(27-19)11-6-7-13(24-3)12(21)8-11/h6-8,21,23H,1-5H3 |
| Smiles | CC1=C2C(=C(C(=C1OC)C)OC)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hydrastis Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients