Tetrahydroxyflavanone
PubChem CID: 246330
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| Compound Synonyms | Dihydrofisetin, Tetrahydroxyflavanone, NSC59264, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one, 3,3',4',7-tetrahydroxyflavanone, NSC-59264, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, trans-, SCHEMBL555237, CHEMBL508731, FNUPUYFWZXZMIE-UHFFFAOYSA-N, DTXSID801021299, Flavanone,3',4',7-tetrahydroxy-, Flavanone, 3,3',4',7-tetrahydroxy-, 101849-13-2, 3,7,3',4'-Tetrahydroxyflavanone (Fustin), NS00050222, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-4-one, 2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4H-1-benzopyran-4-one, 4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, trans- |
|---|---|
| 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 | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNUPUYFWZXZMIE-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.662 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.099 |
| Compound Name | 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.532138142857143 |
| Inchi | InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H |
| Smiles | C1=CC(=C(C=C1C2C(C(=O)C3=C(O2)C=C(C=C3)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Toxicodendron Vernicifluum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Trifolium Pratense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all