7,3',5'-Trihydroxyflavanone
PubChem CID: 12084411
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| Compound Synonyms | 847375-46-6, 7,3',5'-trihydroxyflavanone, 4H-1-Benzopyran-4-one, 2-(3,5-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, (2S)-, (2S)-2-(3,5-Dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one, (S)-2-(3,5-Dihydroxyphenyl)-7-hydroxychroman-4-one, 7,3 inverted exclamation marka,5 inverted exclamation marka-Trihydroxyflavanone, 7,3a?5a?Trihydroxyflavanone, CHEMBL4087163, 7,3??,5??-Trihydroxyflavanone, DTXSID101149779, HY-N9391, (2s)-7,3',5'-trihydroxyflavanone, AKOS040758377, DA-60544, CS-0159667, E89058, (2S)-2-(3,5-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-4H-1-benzopyran-4-one, (2S)-2-(3,5-dihydroxyphenyl)-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(3,5-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OVSYWZXDPOVKQU-AWEZNQCLSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.684 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.328 |
| Compound Name | 7,3',5'-Trihydroxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1281872 |
| Inchi | InChI=1S/C15H12O5/c16-9-1-2-12-13(19)7-14(20-15(12)6-9)8-3-10(17)5-11(18)4-8/h1-6,14,16-18H,7H2/t14-/m0/s1 |
| Smiles | C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC(=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Betula Pubescens (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 Ranunculus Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ruta Montana (Plant) Rel Props:Source_db:cmaup_ingredients