3,5,7-Trihydroxyflavanone
PubChem CID: 3519897
Connections displayed (default: 10).
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| Compound Synonyms | rac-Pinobanksin, 3,5,7-Trihydroxyflavanone, Dihydrogalangin, GALANGIN_met009, SCHEMBL14461145, AAA54882, 4H-1-Benzopyran-4-one,2,3-dihydro-3,5,7-trihydroxy-2-phenyl-, (2R,3R)- |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 365.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUYJZKRQHBQNCA-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.709 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.688 |
| Compound Name | 3,5,7-Trihydroxyflavanone, Dihydrogalangin |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9517872 |
| Inchi | InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H |
| Smiles | C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bretschneidera Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bulbophyllum Odoratissimum (Plant) Rel Props:Source_db:cmaup_ingredients