Pisonin B
PubChem CID: 45267938
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| Compound Synonyms | Pisonin B, CHEBI:67359, 5,7-dihydroxy-6-methoxy-2-methylchromone, 5,7-dihydroxy-6-methoxy-2-methyl-4H-chromen-4-one, CHEMBL560701, 5,7-dihydroxy-6-methoxy-2-methylchromen-4-one, Q27135816 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-6-methoxy-2-methylchromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C11H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXEVCWAPVMCHML-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.419 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.262 |
| Compound Name | Pisonin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 222.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2063151999999997 |
| Inchi | InChI=1S/C11H10O5/c1-5-3-6(12)9-8(16-5)4-7(13)11(15-2)10(9)14/h3-4,13-14H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(O1)C=C(C(=C2O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pisonia Aculeata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all