5-Hydroxy-7,8-dimethoxyflavanone
PubChem CID: 13963770
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| Compound Synonyms | 5-hydroxy-7,8-dimethoxyflavanone, CHEMBL1082119, NEA98149, LMPK12140659, AKOS032948218, DB-333039, F92973, 5-hydroxy-7,8-dimethoxy-2-phenyl-chroman-4-one, B0005-190300, 5-HYDROXY-7,8-DIMETHOXY-2-PHENYL-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE, NCGC00385064-01!5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPGMCCIECGDASG-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.91 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.014 |
| Compound Name | 5-Hydroxy-7,8-dimethoxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.822758363636364 |
| Inchi | InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3 |
| Smiles | COC1=C(C2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all