Oncinotine
Internal ID | 28c73a3a-a265-4035-89c7-c00641f34797 |
Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
IUPAC Name | (17R)-5-(4-aminobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one |
SMILES (Canonical) | C1CCCCCC(=O)N(CCCN2CCCCC2CCCC1)CCCCN |
SMILES (Isomeric) | C1CCCCCC(=O)N(CCCN2CCCC[C@H]2CCCC1)CCCCN |
InChI | InChI=1S/C23H45N3O/c24-17-10-12-19-26-21-13-20-25-18-11-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1 |
InChI Key | BMGOFEXYTOOWHE-JOCHJYFZSA-N |
Popularity | 2 references in papers |
Molecular Formula | C23H45N3O |
Molecular Weight | 379.60 g/mol |
Exact Mass | 379.35626307 g/mol |
Topological Polar Surface Area (TPSA) | 49.60 Ų |
XlogP | 4.80 |
21008-79-7 |
(17R)-5-(4-aminobutyl)-1,5-diazabicyclo[15.4.0]henicosan-6-one |
Pyrido(1,2-e)(1,5)diazacycloheptadecin-5(6H)-one, 4-(4-aminobutyl)octadecahydro-, (R)- |
Pyrido[1,2-e][1,5]diazacycloheptadecin-5(6H)-one, 4-(4-aminobutyl)octadecahydro-, (R)- |
DTXSID20943309 |
BMGOFEXYTOOWHE-JOCHJYFZSA-N |
4-(4-Aminobutyl)octadecahydropyrido[1,2-E][1,5]diazacycloheptadecin-5(6H)-one |
4-(4-Aminobutyl)octadecahydropyrido[1,2-E][1,5]diazacycloheptadecin-5(6H)-one # |
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.05% | 97.25% |
CHEMBL2581 | P07339 | Cathepsin D | 92.04% | 98.95% |
CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 92.04% | 99.29% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.40% | 90.71% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 90.73% | 80.71% |
CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 90.01% | 91.76% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.39% | 95.89% |
CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.12% | 93.18% |
CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 89.12% | 90.95% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.97% | 95.50% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.49% | 96.09% |
CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 87.99% | 94.78% |
CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 86.91% | 91.43% |
CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.53% | 83.14% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.52% | 100.00% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 85.40% | 95.62% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.22% | 93.03% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.22% | 97.09% |
CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 84.83% | 95.27% |
CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 84.34% | 98.46% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 84.17% | 91.38% |
CHEMBL2916 | O14746 | Telomerase reverse transcriptase | 83.34% | 90.00% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.33% | 95.83% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.47% | 93.04% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.08% | 95.34% |
CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.93% | 96.03% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.27% | 94.45% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.11% | 91.71% |
CHEMBL3023 | Q9NRA0 | Sphingosine kinase 2 | 81.04% | 95.61% |
CHEMBL4530 | P00488 | Coagulation factor XIII | 80.51% | 96.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.10% | 93.40% |
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.
Oncinotis tenuiloba |
PubChem | 192984 |
LOTUS | LTS0170738 |
wikiData | Q82920371 |