Onogenin
PubChem CID: 10470862
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | onogenin, 65J5IE5O1P, UNII-65J5IE5O1P, 58116-57-7, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-, 7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone, CHEMBL463943, LMPK12050466, Q27263883, 7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | DZXJXYRRENIUNP-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | Onogenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 454.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.6177035565217395 |
| Inchi | InChI=1S/C17H14O6/c1-20-13-6-16-15(22-8-23-16)5-11(13)12-7-21-14-4-9(18)2-3-10(14)17(12)19/h2-6,12,18H,7-8H2,1H3 |
| Smiles | COC1=CC2=C(C=C1C3COC4=C(C3=O)C=CC(=C4)O)OCO2 |
| Xlogp | 2.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H14O6 |
- 1. Outgoing r'ship
FOUND_INto/from Ulex Airensis (Plant) Rel Props:Source_db:cmaup_ingredients