6-O-methyl-11,12-dihydrolindbladione
PubChem CID: 10882195
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL511693, 6-O-methyl-11,12-dihydrolindbladione |
|---|---|
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 565.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,7-trihydroxy-6-methoxy-3-(3-oxohexyl)naphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C17H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OJXRMXFUEDTZTD-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -3.022 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.817 |
| Compound Name | 6-O-methyl-11,12-dihydrolindbladione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 334.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 334.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 334.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8799088000000004 |
| Inchi | InChI=1S/C17H18O7/c1-3-4-8(18)5-6-9-13(20)12-10(15(22)14(9)21)7-11(19)17(24-2)16(12)23/h7,19-20,23H,3-6H2,1-2H3 |
| Smiles | CCCC(=O)CCC1=C(C2=C(C(=C(C=C2C(=O)C1=O)O)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dipsacus Asperoides (Plant) Rel Props:Source_db:cmaup_ingredients