Nigrolineaisoflavone A
PubChem CID: 11402824
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| Compound Synonyms | Nigrolineaisoflavone A, 5,7-dihydroxy-3-[(2R,3S)-3-hydroxyoxolan-2-yl]chromen-4-one, 5,7-dihydroxy-3-((2R,3S)-3-hydroxyoxolan-2-yl)chromen-4-one, 643026-22-6 |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 5,7-dihydroxy-3-[(2R,3S)-3-hydroxyoxolan-2-yl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C13H12O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QDTZHTJSNHSYDA-ISVAXAHUSA-N |
| Fcsp3 | 0.3076923076923077 |
| Logs | -2.961 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.03 |
| Compound Name | Nigrolineaisoflavone A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 264.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.675718284210526 |
| Inchi | InChI=1S/C13H12O6/c14-6-3-9(16)11-10(4-6)19-5-7(12(11)17)13-8(15)1-2-18-13/h3-5,8,13-16H,1-2H2/t8-,13+/m0/s1 |
| Smiles | C1CO[C@@H]([C@H]1O)C2=COC3=CC(=CC(=C3C2=O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Nigrolineata (Plant) Rel Props:Source_db:cmaup_ingredients