7,3',4'-Trihydroxy-6-methoxy flavanone
PubChem CID: 5321538
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| Compound Synonyms | 7,3',4'-trihydroxy-6-methoxy flavanone |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-7-hydroxy-6-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHUSIUJRMSQNJO-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.987 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.384 |
| Compound Name | 7,3',4'-Trihydroxy-6-methoxy flavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 302.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.189084763636364 |
| Inchi | InChI=1S/C16H14O6/c1-21-16-5-9-11(18)6-14(22-15(9)7-13(16)20)8-2-3-10(17)12(19)4-8/h2-5,7,14,17,19-20H,6H2,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients