3'-O-Methyltaxifolin
PubChem CID: 26194552
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| Compound Synonyms | 3'-O-Methyltaxifolin, (+)-Dihydroisorhamnetin, 55812-91-4, LYS2A6GP1Z, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-, (2R,3R)-, Isorhamnetin, dihydro-, (+)-, UNII-LYS2A6GP1Z, CHEMBL9353, (2R,3R)-2-(3-Methoxy-4-oxidanyl-phenyl)-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one, (+)-3'-O-methyltaxifolin, CHEBI:193530, DTXSID901313675, BDBM50526630, AKOS040762685, (+)-3,4',5,7-tetrahydroxy-3'-methoxyflavanone, (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chroman-4-one, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one, (2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one, (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, (2R-trans)-2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 442.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | O42713 |
| Iupac Name | (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C16H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWYULKXTGMJKKM-JKSUJKDBSA-N |
| Fcsp3 | 0.1875 |
| Logs | -2.5 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.812 |
| Compound Name | 3'-O-Methyltaxifolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 318.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8738291565217393 |
| Inchi | InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3/t15-,16+/m0/s1 |
| Smiles | COC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anastatica Hierochuntica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all