2,10-Dihydroxy-3,11-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
PubChem CID: 10640813
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | UCWPLDKBESNIMB-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Compound Name | 2,10-Dihydroxy-3,11-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 339.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.111 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 564.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 339.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,10-dihydroxy-3,11-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -4.566151400000002 |
| Inchi | InChI=1S/C19H17NO5/c1-24-17-6-10-3-4-20-14(12(10)8-15(17)21)5-11-7-18(25-2)16(22)9-13(11)19(20)23/h5-9,21-22H,3-4H2,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)O)OC)O |
| Xlogp | 2.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H17NO5 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients