6,10-dihydroxy-5,7-dimethoxy-1,3-dimethyl-1H-benzo[g]isochromene-8,9-dione
PubChem CID: 5315180
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6,10-dihydroxy-5,7-dimethoxy-1,3-dimethyl-1H-benzo[g]isochromene-8,9-dione |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 635.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10-dihydroxy-5,7-dimethoxy-1,3-dimethyl-1H-benzo[g]isochromene-8,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C17H16O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VFGPLQKPHMEUAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -3.888 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.07 |
| Compound Name | 6,10-dihydroxy-5,7-dimethoxy-1,3-dimethyl-1H-benzo[g]isochromene-8,9-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 332.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 332.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 332.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2259096 |
| Inchi | InChI=1S/C17H16O7/c1-6-5-8-9(7(2)24-6)12(18)10-11(16(8)22-3)14(20)17(23-4)15(21)13(10)19/h5,7,18,20H,1-4H3 |
| Smiles | CC1C2=C(C=C(O1)C)C(=C3C(=C2O)C(=O)C(=O)C(=C3O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients