6-[3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
| Internal ID | 02253985-6be3-4891-b5e0-de6b3d9b0862 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cholestane steroids |
| IUPAC Name | 6-[3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H61N3O2/c1-23(2)30(38)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-31(32)39)37-20-8-19-36-18-7-6-17-35/h24-29,31-32,36-37,39H,1,6-22,35H2,2-5H3 |
| InChI Key | YEKXNRKKBNWRAG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H61N3O2 |
| Molecular Weight | 543.90 g/mol |
| Exact Mass | 543.47637820 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of 6-[3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/ef989260-845f-11ee-ac35-150591d9d43d.jpg "2D Structure of 6-[3-[3-(4-aminobutylamino)propylamino]-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL3837 | P07711 | Cathepsin L | 97.02% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.69% | 82.69% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 95.93% | 91.38% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 95.93% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.28% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.16% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.77% | 95.89% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 94.77% | 95.58% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 94.00% | 98.10% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 93.75% | 98.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 93.75% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.04% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.45% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.89% | 90.71% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.65% | 85.31% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 91.03% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.59% | 97.29% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 90.20% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.14% | 91.24% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.92% | 92.86% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.44% | 93.18% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 89.40% | 95.27% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.25% | 97.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.17% | 97.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 88.90% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.72% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.69% | 100.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.68% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.45% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.50% | 99.17% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 86.21% | 96.28% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.15% | 98.75% |
| CHEMBL4777 | P25929 | Neuropeptide Y receptor type 1 | 85.68% | 96.67% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.12% | 91.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.06% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.99% | 93.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.54% | 94.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.34% | 96.38% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.27% | 89.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.14% | 93.04% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 83.91% | 98.33% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 83.55% | 96.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.99% | 96.90% |
| CHEMBL5646 | Q6L5J4 | FML2_HUMAN | 82.75% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.55% | 96.21% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.36% | 96.00% |
| CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 81.30% | 96.33% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.24% | 97.50% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 80.78% | 99.17% |
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.
| There are no matching plants. |
| PubChem | 23400063 |
| LOTUS | LTS0201578 |
| wikiData | Q105347286 |