5,4'-Dihydroxy-6,7-Dimethoxyflavanone
PubChem CID: 14078484
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| Compound Synonyms | 5,4'-dihydroxy-6,7-dimethoxyflavanone, CHEMBL502359, MEGxp0_000901, ACon1_000689, LMPK12140621, 5,4'-dihydroxy-6,7 -dimethoxyflavanone, NCGC00169455-01, PD026588, BRD-A58008741-001-01-3, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one, 73328-53-7 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEOJMRBCCZJDEC-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.8 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.547 |
| Compound Name | 5,4'-Dihydroxy-6,7-Dimethoxyflavanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7658027565217393 |
| Inchi | InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3 |
| Smiles | COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eriodictyon Californicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all