(2S)-5,7,2',4'-Tetrahydroxyflavanone
PubChem CID: 10356745
Connections displayed (default: 10).
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| Compound Synonyms | steppogenin, 56486-94-3, (2S)-5,7,2',4'-tetrahydroxyflavanone, CHEMBL458395, (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one, SCHEMBL6822729, QBLQLKNOKUHRCH-ZDUSSCGKSA-N, DTXSID101318233, BDBM50251005, AKOS032962442, DA-67786, FS-10023, XS161533, HY-122094, (2S)-5,7,2'',4''-tetrahydroxyflavanone, E80564, (S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxychroman-4-one, Norartocarpanone, (2S)-5,7,2',4'-Tetrahydroxyflavanone, (2S)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P11511, P14679 |
| Iupac Name | (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT441, NPT741 |
| Xlogp | 2.0 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBLQLKNOKUHRCH-ZDUSSCGKSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.793 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.166 |
| Compound Name | (2S)-5,7,2',4'-Tetrahydroxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3448381428571423 |
| Inchi | InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1 |
| Smiles | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=C(C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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