s-Dihydrodaidzein
PubChem CID: 11492597
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| Compound Synonyms | s-dihydrodaidzein, 879559-75-8, (S)-dihydrodaidzein, (3S)-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, (S)-7-Hydroxy-3-(4-hydroxyphenyl)chroman-4-one, S-2,3-dihydro-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-Benzopyran-4-one, SCHEMBL5797926, (S)-4',7-dihydroxyisoflavanone, HY-N4200, AKOS037515320, DA-57609, MS-23609, CS-0032417, C22557, G17030 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHYXBPPMXZIHKG-CYBMUJFWSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.781 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.168 |
| Compound Name | s-Dihydrodaidzein |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3169618210526313 |
| Inchi | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2/t13-/m1/s1 |
| Smiles | C1[C@@H](C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients