Ibogamin-20-ol, 12-methoxy-, (4a,20S)-
| Internal ID | 3e005a05-cec5-4b9c-b591-b512fc8956bd |
| Taxonomy | Alkaloids and derivatives > Ibogan-type alkaloids |
| IUPAC Name | 1-(7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-17-yl)ethanol |
| SMILES (Canonical) | CC(C1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)O |
| SMILES (Isomeric) | CC(C1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)O |
| InChI | InChI=1S/C20H26N2O2/c1-11(23)15-7-12-8-17-19-14(5-6-22(10-12)20(15)17)16-9-13(24-2)3-4-18(16)21-19/h3-4,9,11-12,15,17,20-21,23H,5-8,10H2,1-2H3 |
| InChI Key | QLSITYRYHBQHBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26N2O2 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.199428076 g/mol |
| Topological Polar Surface Area (TPSA) | 48.50 Ų |
| XlogP | 2.80 |
| Iboxygaine |
| 82-55-3 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.63% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.56% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.42% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.54% | 97.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.25% | 93.31% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.97% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.74% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.40% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.01% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.51% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.43% | 98.75% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 90.19% | 97.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.42% | 92.94% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.67% | 95.12% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.58% | 95.56% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.83% | 100.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 83.29% | 93.81% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.90% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.85% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.66% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.08% | 90.71% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.00% | 93.99% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.61% | 93.18% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.35% | 98.59% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 81.06% | 98.44% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.95% | 83.82% |
| CHEMBL2782 | P35610 | Acyl coenzyme A:cholesterol acyltransferase 1 | 80.49% | 91.65% |
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.
| Tabernaemontana citrifolia |
| Tabernaemontana dichotoma |
| PubChem | 12310765 |
| LOTUS | LTS0169904 |
| wikiData | Q105206160 |