12-Ethyl-6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-3-ol
| Internal ID | bb02b139-2156-4042-83ad-e1c66f313660 |
| Taxonomy | Alkaloids and derivatives > Eburnan-type alkaloids |
| IUPAC Name | 12-ethyl-6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-3-ol |
| SMILES (Canonical) | CCC12CCCN3C1C4(CC3)C(CC2)NC5=C(C=CC(=C45)O)C6CC7(CCCN8C7C9=C(CC8)C1=CC=CC=C1N69)CC |
| SMILES (Isomeric) | CCC12CCCN3C1C4(CC3)C(CC2)NC5=C(C=CC(=C45)O)C6CC7(CCCN8C7C9=C(CC8)C1=CC=CC=C1N69)CC |
| InChI | InChI=1S/C38H48N4O/c1-3-36-15-7-20-41-22-18-38(35(36)41)30(13-17-36)39-32-26(11-12-29(43)31(32)38)28-23-37(4-2)16-8-19-40-21-14-25-24-9-5-6-10-27(24)42(28)33(25)34(37)40/h5-6,9-12,28,30,34-35,39,43H,3-4,7-8,13-23H2,1-2H3 |
| InChI Key | HHCOPHVLECRPRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H48N4O |
| Molecular Weight | 576.80 g/mol |
| Exact Mass | 576.38281217 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 12-Ethyl-6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-3-ol](https://plantaedb.com/storage/docs/compounds/2023/11/ac464260-861f-11ee-82fc-adfb75607642.jpg "2D Structure of 12-Ethyl-6-(15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-3-ol")
| 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 | 98.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.87% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.36% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.21% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 95.88% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.73% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.63% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.94% | 86.33% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 88.68% | 95.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.00% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.94% | 99.23% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.75% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.74% | 95.89% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.65% | 91.71% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 86.06% | 97.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.15% | 93.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.68% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.81% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.74% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.53% | 89.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 83.47% | 90.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.15% | 89.62% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.97% | 90.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.70% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.67% | 92.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.79% | 95.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.40% | 90.24% |
| CHEMBL1808 | P12821 | Angiotensin-converting enzyme | 80.05% | 93.39% |
| CHEMBL1991 | O14920 | Inhibitor of nuclear factor kappa B kinase beta subunit | 80.00% | 97.15% |
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.
| Leuconotis griffithii |
| PubChem | 75219785 |
| LOTUS | LTS0091537 |
| wikiData | Q105028146 |