Przewaquinone F
PubChem CID: 126073
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| Compound Synonyms | Przewaquinone F, Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-, 96839-31-5, 7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione, DTXSID70914286, 7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione |
|---|---|
| Topological Polar Surface Area | 87.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C18H16O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OUFIJYAHFBAFBX-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.082 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.169 |
| Compound Name | Przewaquinone F |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 312.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1794032434782613 |
| Inchi | InChI=1S/C18H16O5/c1-8-7-23-18-11-3-2-9-10(4-5-13(20)12(9)6-19)15(11)17(22)16(21)14(8)18/h2-3,7,12-13,19-20H,4-6H2,1H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients