2',4',7-Trihydroxy-flavanone
PubChem CID: 91557562
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| Compound Synonyms | CHEMBL3422848, 2',4',7-trihydroxy-flavanone, BDBM50083070 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00591 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JBQATDIMBVLPRB-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.544 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.197 |
| Compound Name | 2',4',7-Trihydroxy-flavanone |
| 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/c16-8-1-3-10(12(18)5-8)15-7-13(19)11-4-2-9(17)6-14(11)20-15/h1-6,15-18H,7H2 |
| Smiles | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all