Wilsonine
PubChem CID: 630102
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Wilsonine, 39024-12-9, (-)-Wilsonine, 4H-Oxireno[3,3a]indolo[7a,1-a][2]benzazepine, C-homoerythrinan deriv., 4H-Oxireno[3,3a]indolo[7a,1-a][2]benzazepine, 1a,2,5,6,11,12-hexahydro-8,9,12-trimethoxy-, [1aR-(1a.alpha.,10bR*,12.beta.)]-, 4H-Oxireno[3,3a]indolo[7a,1-a][2]benzazepine,1a,2,5,6,11,12-hexahydro-8,9,12-trimethoxy-,(1aR,10bR,12S,14aS)-, C-Homoerythrinan, 1,2-didehydro-6,7-epoxy-3,15,16-trimethoxy-, (3.alpha.,6.alpha.,7.alpha.)-, 4H-Oxireno(3,3a)indolo(7a,1-a)(2)benzazepine, C-homoerythrinan deriv., 4,5,18-trimethoxy-14-oxa-11-azapentacyclo(9.8.0.01,15.02,7.013,15)nonadeca-2,4,6,16-tetraene, 4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene, 4H-Oxireno(3,3a)indolo(7a,1-a)(2)benzazepine,1a,2,5,6,11,12-hexahydro-8,9,12-trimethoxy-,(1aR,10bR,12S,14aS)-, CID 91895285, PBA02412, PBA02415, B0005-141418, B2703-179937, C-Homoerythrinan, 1,2-didehydro-6,7-epoxy-3,15,16-trimethoxy-, (3alpha,6alpha,7alpha)-, (1R,13R,15S,18R)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.0^{1,15.0^{2,7.0^{13,15]nonadeca-2,4,6,16-tetraene, (1R,13R,15S,18S)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.0^{1,15.0^{2,7.0^{13,15]nonadeca-2,4,6,16-tetraene, 2,3,13-Trimethoxy-6,7,9,9a,13,14-hexahydro-5H-oxireno[2',3':3,3a]indolo[7a,1-a][2]benzazepine #, 4H-Oxireno(3,3a)indolo(7a,1-a)(2)benzazepine, 1a,2,5,6,11,12-hexahydro-8,9,12-trimethoxy-, (1aR-(1aalpha,10bR*,12beta))- |
|---|---|
| Topological Polar Surface Area | 43.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 568.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C20H25NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JCKPCZAYDZJZIL-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -2.87 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.618 |
| Compound Name | Wilsonine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 343.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 343.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0513226000000007 |
| Inchi | InChI=1S/C20H25NO4/c1-22-14-6-7-20-18(25-20)12-21-8-4-5-13-9-16(23-2)17(24-3)10-15(13)19(20,21)11-14/h6-7,9-10,14,18H,4-5,8,11-12H2,1-3H3 |
| Smiles | COC1CC23C4=CC(=C(C=C4CCCN2CC5C3(O5)C=C1)OC)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Harringtonia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Tripterygium Hypoglaucum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Tripterygium Wilfordii (Plant) Rel Props:Source_db:cmaup_ingredients