Pseudocoptisine
PubChem CID: 15520811
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| Compound Synonyms | Pseudocoptisine, 19716-67-7, CHEMBL3343659, Isocoptisine chloride, 5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene, 5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene, chloride, SCHEMBL11989187, DTXSID301187909, BDBM50030259, NS00094074, 5,6-Dihydrobis[1,3]benzodioxolo[5,6-a:5a(2),6a(2)-g]quinolizinium |
|---|---|
| Topological Polar Surface Area | 40.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,18,20-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H14NO4+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDEMWTMCJLNBDH-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -7.254 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.2 |
| Compound Name | Pseudocoptisine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.092 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 320.092 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.518042133333334 |
| Inchi | InChI=1S/C19H14NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h3-8H,1-2,9-10H2/q+1 |
| Smiles | C1C[N+]2=CC3=CC4=C(C=C3C=C2C5=CC6=C(C=C51)OCO6)OCO4 |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Ternata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Corydalis Turtschaninovii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients