Pisonin E
PubChem CID: 42631473
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| Compound Synonyms | Pisonin E, CHEBI:67362, 5-hydroxy-6,7-methylenedioxy-2-methylchromone, 9-hydroxy-6-methyl-[1,3]dioxolo[4,5-g]chromen-8-one, 9-hydroxy-6-methyl-8H-[1,3]dioxolo[4,5-g]chromen-8-one, 9-hydroxy-6-methyl-(1,3)dioxolo(4,5-g)chromen-8-one, 9-hydroxy-6-methyl-8H-(1,3)dioxolo(4,5-g)chromen-8-one, CHEMBL1802143, Q27135820 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-6-methyl-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTEVFEONFQOVDW-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -2.695 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.521 |
| Compound Name | Pisonin E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3858159999999993 |
| Inchi | InChI=1S/C11H8O5/c1-5-2-6(12)9-7(16-5)3-8-11(10(9)13)15-4-14-8/h2-3,13H,4H2,1H3 |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C2O1)OCO3)O |
| 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;npass_chem_all