Cerasonine
PubChem CID: 10807971
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cerasonine, 2-hydroxy-3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one, 2-hydroxy-3,10,11-trimethoxy-5,6-dihydroisoquinolino(2,1-b)isoquinolin-8-one, SCHEMBL14930649, 186424-51-1 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 579.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-3,10,11-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H19NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQBLJPKMVSDAKV-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -5.093 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.236 |
| Compound Name | Cerasonine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 353.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.126 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.776803415384617 |
| Inchi | InChI=1S/C20H19NO5/c1-24-17-7-11-4-5-21-15(13(11)9-16(17)22)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3 |
| Smiles | COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients