Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-
| Internal ID | eb667312-2d30-470b-9da6-5c3da49fa364 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (1S,13R,14S)-13,14-dimethyl-3,17-diaza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaene |
| SMILES (Canonical) | CC1C2=C(CC3[N+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 |
| SMILES (Isomeric) | C[C@H]1C2=C(C[C@@H]3[N@@+]1(CCC4=C3NC5=CC=CC=C45)C)C=CN=C2 |
| InChI | InChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1/t13-,19-,23+/m0/s1 |
| InChI Key | KXNXUEUDDUKJMK-CUKRAGERSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22N3+ |
| Molecular Weight | 304.40 g/mol |
| Exact Mass | 304.181372715 g/mol |
| Topological Polar Surface Area (TPSA) | 28.70 Ų |
| XlogP | 2.90 |
| Indolo(2',3':3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)- |
| (1S,13R,14S)-13,14-Dimethyl-3,17-diaza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaene |
| Malindine |
| SCHEMBL3132560 |
| SCHEMBL30401988 |
| CHEBI:141921 |
| DTXSID601001815 |
| (5S,6R,13bS)-5,6-dimethyl-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-6-ium |
| 5,6-Dimethyl-5,7,8,13,13b,14-hexahydroindolo[2',3':3,4]pyrido[1,2-b][2,7]naphthyridin-6-ium |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.30% | 96.09% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 92.99% | 98.59% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.49% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.41% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.87% | 85.14% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.65% | 96.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.21% | 98.95% |
| CHEMBL4599 | Q07912 | Tyrosine kinase non-receptor protein 2 | 87.85% | 94.29% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.46% | 93.99% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.28% | 96.39% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 85.71% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.84% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.77% | 94.45% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.77% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.22% | 100.00% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 83.83% | 95.50% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.21% | 85.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Strychnos usambarensis |
| PubChem | 157739 |
| LOTUS | LTS0067561 |
| wikiData | Q82995827 |