(2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone
PubChem CID: 9996718
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| Compound Synonyms | (2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone, LMPK12140130, (2R)-2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one, 652999-52-5 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 441.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-2-(2,3-dimethoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWHHFNGLEOMEAA-OAHLLOKOSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | 0.683 |
| Rotatable Bond Count | 4.0 |
| Logd | 7.098 |
| Compound Name | (2R)-5-Hydroxy-7,2',3'-trimethoxyflavanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0415832 |
| Inchi | InChI=1S/C18H18O6/c1-21-10-7-12(19)17-13(20)9-15(24-16(17)8-10)11-5-4-6-14(22-2)18(11)23-3/h4-8,15,19H,9H2,1-3H3/t15-/m1/s1 |
| Smiles | COC1=CC=CC(=C1OC)[C@H]2CC(=O)C3=C(C=C(C=C3O2)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Viscosula (Plant) Rel Props:Source_db:cmaup_ingredients