Preussochromone C
PubChem CID: 57333290
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| Compound Synonyms | Preussochromone C, (5S)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraene-2,8-dione, Preubetaochromone C, (5S)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo(7.3.1.05,13)trideca-1(12),6,9(13),10-tetraene-2,8-dione, CHEMBL2012304, CHEBI:213490 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 513.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(12),6,9(13),10-tetraene-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C14H12O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PHWNDHXZDCXMCU-AWEZNQCLSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.53 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.257 |
| Compound Name | Preussochromone C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 292.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9959351714285711 |
| Inchi | InChI=1S/C14H12O7/c1-19-8-3-6(15)10-7(16)4-9(20-2)14(18)5-21-13(17)11(8)12(10)14/h3-4,15,18H,5H2,1-2H3/t14-/m0/s1 |
| Smiles | COC1=CC(=O)C2=C3[C@@]1(COC(=O)C3=C(C=C2O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbophyllum Odoratissimum (Plant) Rel Props:Source_db:cmaup_ingredients