Crebanine
PubChem CID: 159999
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Crebanine, Crebanin, 25127-29-1, L-crebanine, 8,9-Dimethoxy-1,2-(methylenedioxy)aporphine, Aporphine, 8,9-dimethoxy-1,2-(methylenedioxy)-, 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-9,10-dimethoxy-7-methyl-, (R)-, (12R)-15,16-Dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, L-CBN, 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14(19),15,17-hexaene, CHEMBL604339, DTXSID80947989, UVDQDNQWGQFIAO-UHFFFAOYSA-N, AKOS032948508, AC-34392, DA-62497, 1,2-methylenedioxy-8,9-dimethoxyaporphine, Aporphine, 8,9-dimethoxy-1,2-(methylenedioxy)-(8CI), (12R)-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6.0^{8,20.0^{14,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0(2),?.0?,(2)?.0(1)?,(1)?]icosa-1(20),2(6),7,14(19),15,17-hexaene, 9,10-Dimethoxy-7-methyl-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline |
|---|---|
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 502.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P24941 |
| Iupac Name | 15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C20H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UVDQDNQWGQFIAO-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.609 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.878 |
| Compound Name | Crebanine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 339.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 339.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 339.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.208624200000001 |
| Inchi | InChI=1S/C20H21NO4/c1-21-7-6-11-8-16-20(25-10-24-16)18-12-4-5-15(22-2)19(23-3)13(12)9-14(21)17(11)18/h4-5,8,14H,6-7,9-10H2,1-3H3 |
| Smiles | CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fissistigma Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all