Dihydrogambirtannine, 1-dehydroxycarbonyl-
| Internal ID | 05bd559a-9841-4d95-8860-fa3a72546f92 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 1,3,11,12,14,21-hexahydroyohimban |
| SMILES (Canonical) | C1CN2CC3=CC=CC=C3CC2C4=C1C5=CC=CC=C5N4 |
| SMILES (Isomeric) | C1CN2CC3=CC=CC=C3CC2C4=C1C5=CC=CC=C5N4 |
| InChI | InChI=1S/C19H18N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h1-8,18,20H,9-12H2 |
| InChI Key | HMRNOHUZNZRJGI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18N2 |
| Molecular Weight | 274.40 g/mol |
| Exact Mass | 274.146998583 g/mol |
| Topological Polar Surface Area (TPSA) | 19.00 Ų |
| XlogP | 3.50 |
| HMRNOHUZNZRJGI-UHFFFAOYSA-N |
| 15,16,17,18,19,20-Hexadehydroyohimban # |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.63% | 89.76% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 97.27% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.73% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 93.40% | 95.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.28% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.42% | 93.99% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 92.36% | 92.98% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.85% | 91.49% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.61% | 88.56% |
| CHEMBL3227 | P41594 | Metabotropic glutamate receptor 5 | 88.14% | 96.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.82% | 94.45% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 87.52% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.03% | 91.71% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.45% | 98.59% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.27% | 92.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.14% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.52% | 96.39% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 81.17% | 81.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.26% | 98.75% |
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.
| Hunteria zeylanica |
| Strychnos johnsonii |
| PubChem | 623554 |
| LOTUS | LTS0125032 |
| wikiData | Q105030652 |