7,2',6'-Trihydroxy-5-methoxyflavanone
PubChem CID: 5322075
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| Compound Synonyms | 7,2',6'-Trihydroxy-5-methoxyflavanone, LMPK12140122, 2-(2,6-dihydroxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one, 92519-96-5 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 403.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,6-dihydroxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C16H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LUSOAMBDAXTEBX-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.354 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.947 |
| Compound Name | 7,2',6'-Trihydroxy-5-methoxyflavanone |
| 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 | -3.2079847636363636 |
| Inchi | InChI=1S/C16H14O6/c1-21-12-5-8(17)6-13-16(12)11(20)7-14(22-13)15-9(18)3-2-4-10(15)19/h2-6,14,17-19H,7H2,1H3 |
| Smiles | COC1=CC(=CC2=C1C(=O)CC(O2)C3=C(C=CC=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Baicalensis (Plant) Rel Props:Source_db:cmaup_ingredients