5,7,4'-Trihydroxy-6-methoxyflavanone
PubChem CID: 5322074
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| Compound Synonyms | 94942-49-1, 6-Methoxynaringenin, 5,7,4'-Trihydroxy-6-methoxyflavanone, 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (S)-, (2S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one, LMPK12140619, AKOS022184707, DA-49785, B0005-157266, 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-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 | 0.0 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FCXRFTLSXMRXTM-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.656 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.79 |
| Compound Name | 5,7,4'-Trihydroxy-6-methoxyflavanone |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5544847636363643 |
| Inchi | InChI=1S/C16H14O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-5,7,12,17,19-20H,6H2,1H3 |
| Smiles | COC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients