2,5,7-Trihydroxy-4'-methoxyisoflavanone
PubChem CID: 25203449
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| Compound Synonyms | 2,5,7-trihydroxy-4'-methoxyisoflavanone, (2R,3S)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, CHEBI:133308, (2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-4-oxo-chroman-5-olate, (2R,3S)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 405.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-2,5,7-trihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IIQJLBKXWGKSKE-CZUORRHYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -5.231 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.786 |
| Compound Name | 2,5,7-Trihydroxy-4'-methoxyisoflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4725847636363634 |
| Inchi | InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)13-15(19)14-11(18)6-9(17)7-12(14)22-16(13)20/h2-7,13,16-18,20H,1H3/t13-,16-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)[C@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycine Max (Plant) Rel Props:Source_db:cmaup_ingredients