Blumeatin B
PubChem CID: 157600
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| Compound Synonyms | Blumeatin B, 79995-67-8, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-2-(3-hydroxy-4-methox yphenyl)-7-methoxy-, (2R,3R)-, (2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one, DTXSID301000894, (+)-4',7-Di-O-methyl-(2R,3R)-dihydroquercetin, (+)-4',7-Dimethoxy-(2R,3R)-dihydroquercetin, (2R,3R)-dihydroquercetin-4',7-dimethyl ether, HY-N2943, AKOS040761421, FS-9043, DA-51229, CS-0023569, E87092, (2R,3R)-3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychroman-4-one, 3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydro-4H-1-benzopyran-4-one, (2R,3R)-3,5-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-7-METHOXY-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 456.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SVPNMFZMHPLGRR-DLBZAZTESA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -2.845 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.678 |
| Compound Name | Blumeatin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0803096 |
| Inchi | InChI=1S/C17H16O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,16-19,21H,1-2H3/t16-,17+/m0/s1 |
| Smiles | COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)OC)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carica Papaya (Plant) Rel Props:Source_db:cmaup_ingredients