7-O-Methyldihydrowogonin
PubChem CID: 13963771
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| Compound Synonyms | 113981-49-0, 5-hydroxy-7,8-dimethoxyflavanone, 7-O-Methyldihydrowogonin, (2S)-5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7,8-dimethoxy-2-phenyl-, (2S)-, 7-O-Methylglabranin, CHEMBL1253998, DTXSID401313044, HY-N2676, AKOS022184878, FS-10164, CS-0023115 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | VPGMCCIECGDASG-ZDUSSCGKSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Compound Name | 7-O-Methyldihydrowogonin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 393.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5-hydroxy-7,8-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| 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/t13-/m0/s1 |
| Smiles | COC1=C(C2=C(C(=O)C[C@H](O2)C3=CC=CC=C3)C(=C1)O)OC |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C17H16O5 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients