5-Hydroxypseudobaptigenin
PubChem CID: 15301053
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| Compound Synonyms | 5-hydroxypseudobaptigenin, 40624-03-1, CHEBI:61312, 5,7-Dihydroxy-3',4'-methylenedioxyisoflavone, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one, CHEMBL591023, SCHEMBL13904464, DTXSID701311673, 3-(benzo[d][1,3]dioxol-5-yl)-5,7-dihydroxy-4H-chromen-4-one, 3a(2),4a(2)-Methylenedioxyorobol, LMPK12050252, C19727, 5,7-dihydroxy-3',4'-(methylenedioxy)isoflavone, Q27131013, 5,7-DIHYDROXY-3'',4''-METHYLENEDIOXYISOFLAVONE, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-4H-chromen-4-one, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNFXYMBRFDJYCH-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.961 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.833 |
| Compound Name | 5-Hydroxypseudobaptigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4465318181818185 |
| Inchi | InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2 |
| Smiles | C1OC2=C(O1)C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pueraria Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all