6-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8H-furo[3,4-g][1,3]benzodioxol-8-ol
PubChem CID: 145956575
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4163761, BDBM50286645 |
|---|---|
| Topological Polar Surface Area | 79.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 591.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8H-furo[3,4-g][1,3]benzodioxol-8-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT204 |
| Xlogp | 2.3 |
| Molecular Formula | C20H15NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSKSWXVBZOKSJK-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.895 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.862 |
| Compound Name | 6-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-methyl-8H-furo[3,4-g][1,3]benzodioxol-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 365.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 365.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 365.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.939232718518519 |
| Inchi | InChI=1S/C20H15NO6/c1-20(12-2-3-13-17(26-9-23-13)16(12)19(22)27-20)18-11-7-15-14(24-8-25-15)6-10(11)4-5-21-18/h2-7,19,22H,8-9H2,1H3 |
| Smiles | CC1(C2=C(C(O1)O)C3=C(C=C2)OCO3)C4=NC=CC5=CC6=C(C=C54)OCO6 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Mucronifera (Plant) Rel Props:Source_db:cmaup_ingredients