Pallidisetin A
PubChem CID: 10450050
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| Compound Synonyms | Pallidisetin A, CHEMBL519724, (E)-1-(6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-3-phenylprop-2-en-1-one, 1-(2,3-dihydro-6-hydroxy-2-phenyl-4-benzofuranyl)-3-phenyl-(2e)-propen-1-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.9 |
| Molecular Formula | C23H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMKOJZYLWZDFIY-VAWYXSNFSA-N |
| Fcsp3 | 0.0869565217391304 |
| Logs | -5.593 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.034 |
| Compound Name | Pallidisetin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 342.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.279250492307692 |
| Inchi | InChI=1S/C23H18O3/c24-18-13-19(21(25)12-11-16-7-3-1-4-8-16)20-15-22(26-23(20)14-18)17-9-5-2-6-10-17/h1-14,22,24H,15H2/b12-11+ |
| Smiles | C1C(OC2=CC(=CC(=C21)C(=O)/C=C/C3=CC=CC=C3)O)C4=CC=CC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polytrichum Pollidisetum (Plant) Rel Props:Source_db:npass_chem_all