Pisonin C
PubChem CID: 56683358
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| Compound Synonyms | Pisonin C, CHEBI:67360, 5,7-dihydroxy-6-methoxychromon, CHEMBL1802141, 5,7-dihydroxy-6-methoxychromone, DTXSID001253309, 5,7-dihydroxy-6-methoxy-4H-chromen-4-one, 5,7-Dihydroxy-6-methoxy-4H-1-benzopyran-4-one, Q27135818, 34818-69-4 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-6-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMJBXDWFZVLFDK-UHFFFAOYSA-N |
| Fcsp3 | 0.1 |
| Logs | -2.392 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.078 |
| Compound Name | Pisonin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 208.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.576881133333333 |
| Inchi | InChI=1S/C10H8O5/c1-14-10-6(12)4-7-8(9(10)13)5(11)2-3-15-7/h2-4,12-13H,1H3 |
| Smiles | COC1=C(C2=C(C=C1O)OC=CC2=O)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