Cochinolide
PubChem CID: 10332730
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| Compound Synonyms | Cochinolide, (6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one, (6S)-6-hydroxy-3-(hydroxy(phenyl)methyl)-5,6-dihydro-4H-1-benzofuran-2-one, CHEMBL448078, 2(4H)-Benzofuranone, 5,6-dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-, ()- |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 443.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | BSEKYAJQRZECLG-XLLULAGJSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -2.778 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.392 |
| Compound Name | Cochinolide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.330476810526316 |
| Inchi | InChI=1S/C15H14O4/c16-10-6-7-11-12(8-10)19-15(18)13(11)14(17)9-4-2-1-3-5-9/h1-5,8,10,14,16-17H,6-7H2/t10-,14?/m0/s1 |
| Smiles | C1CC2=C(C(=O)OC2=C[C@H]1O)C(C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalium Cochinchinensis (Plant) Rel Props:Source_db:npass_chem_all