13-Ethyl-9-methoxy-9-methyl-8,15-diazapentacyclo[9.7.1.02,7.08,19.012,17]nonadeca-2,4,6,12,14,16-hexaene
Internal ID | 0a179a4b-5a75-4a5a-83d5-00adb3b65059 |
Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
IUPAC Name | 13-ethyl-9-methoxy-9-methyl-8,15-diazapentacyclo[9.7.1.02,7.08,19.012,17]nonadeca-2,4,6,12,14,16-hexaene |
SMILES (Canonical) | CCC1=C2C3CC(N4C3C(CC2=CN=C1)C5=CC=CC=C54)(C)OC |
SMILES (Isomeric) | CCC1=C2C3CC(N4C3C(CC2=CN=C1)C5=CC=CC=C54)(C)OC |
InChI | InChI=1S/C21H24N2O/c1-4-13-11-22-12-14-9-16-15-7-5-6-8-18(15)23-20(16)17(19(13)14)10-21(23,2)24-3/h5-8,11-12,16-17,20H,4,9-10H2,1-3H3 |
InChI Key | VFXBCFSTXQLSGZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H24N2O |
Molecular Weight | 320.40 g/mol |
Exact Mass | 320.188863393 g/mol |
Topological Polar Surface Area (TPSA) | 25.40 Ų |
XlogP | 3.80 |
There are no found synonyms. |
![2D Structure of 13-Ethyl-9-methoxy-9-methyl-8,15-diazapentacyclo[9.7.1.02,7.08,19.012,17]nonadeca-2,4,6,12,14,16-hexaene 2D Structure of 13-Ethyl-9-methoxy-9-methyl-8,15-diazapentacyclo[9.7.1.02,7.08,19.012,17]nonadeca-2,4,6,12,14,16-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/6ffae3b0-85a5-11ee-a748-a7c69fc0cb39.jpg)
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 | 98.63% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.20% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
CHEMBL2039 | P27338 | Monoamine oxidase B | 90.56% | 92.51% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.51% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.25% | 97.09% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 86.93% | 87.16% |
CHEMBL240 | Q12809 | HERG | 86.60% | 89.76% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.59% | 85.14% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.38% | 93.65% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.76% | 95.89% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.00% | 94.45% |
CHEMBL5028 | O14672 | ADAM10 | 82.38% | 97.50% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 82.02% | 98.59% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.62% | 90.17% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.31% | 93.99% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.97% | 89.62% |
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.
Rauvolfia tetraphylla |
PubChem | 163192737 |
LOTUS | LTS0082309 |
wikiData | Q105285625 |