Pisonivanol
PubChem CID: 53354908
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| Compound Synonyms | Pisonivanol, CHEBI:67365, DTXSID301131720, (2R,3R)-3,7-dihydroxy-5,6-dimethoxyflavanone, Q27135823, (2R,3R)-3,7-dihydroxy-5,6-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,7-dihydroxy-5,6-dimethoxy-2-phenyl-, (2R,3R)-, 1307255-89-5 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3R)-3,7-dihydroxy-5,6-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HERMXACAVKAURU-LSDHHAIUSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -3.186 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.007 |
| Compound Name | Pisonivanol |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.21140275652174 |
| Inchi | InChI=1S/C17H16O6/c1-21-16-10(18)8-11-12(17(16)22-2)13(19)14(20)15(23-11)9-6-4-3-5-7-9/h3-8,14-15,18,20H,1-2H3/t14-,15+/m0/s1 |
| Smiles | COC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2=O)O)C3=CC=CC=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients