Broussonetine I
Internal ID | d7bb187b-cc04-4801-840c-01c9af241704 |
Taxonomy | Organoheterocyclic compounds > Piperidines > N-acylpiperidines |
IUPAC Name | 1-[(2R)-2-[(1S,2S)-8-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxyoctyl]piperidin-1-yl]ethanone |
SMILES (Canonical) | CC(=O)N1CCCCC1C(C(CCCCCCC2C(C(C(N2)CO)O)O)O)O |
SMILES (Isomeric) | CC(=O)N1CCCC[C@@H]1[C@@H]([C@H](CCCCCC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O)O)O |
InChI | InChI=1S/C20H38N2O6/c1-13(24)22-11-7-6-9-16(22)20(28)17(25)10-5-3-2-4-8-14-18(26)19(27)15(12-23)21-14/h14-21,23,25-28H,2-12H2,1H3/t14-,15-,16-,17+,18-,19-,20+/m1/s1 |
InChI Key | JOZUWNJNFDODBK-KDQPAEPOSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C20H38N2O6 |
Molecular Weight | 402.50 g/mol |
Exact Mass | 402.27298694 g/mol |
Topological Polar Surface Area (TPSA) | 134.00 Ų |
XlogP | 0.00 |
1-[(2R)-2-[(1S,2S)-8-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxyoctyl]piperidin-1-yl]ethanone |
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 | 99.40% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 98.42% | 98.95% |
CHEMBL237 | P41145 | Kappa opioid receptor | 96.21% | 98.10% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.84% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.62% | 97.09% |
CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.60% | 98.33% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.48% | 90.08% |
CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 92.30% | 95.50% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.35% | 94.45% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.05% | 93.56% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.94% | 91.19% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.83% | 96.47% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.82% | 96.77% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.37% | 97.47% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.37% | 100.00% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 88.15% | 91.81% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.31% | 92.50% |
CHEMBL3524 | P56524 | Histone deacetylase 4 | 86.74% | 92.97% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.61% | 93.04% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.41% | 98.75% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.28% | 100.00% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.60% | 95.58% |
CHEMBL5203 | P33316 | dUTP pyrophosphatase | 85.40% | 99.18% |
CHEMBL274 | P51681 | C-C chemokine receptor type 5 | 84.47% | 98.77% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.34% | 93.99% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.77% | 95.89% |
CHEMBL4683 | Q12884 | Fibroblast activation protein alpha | 83.56% | 93.07% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.39% | 100.00% |
CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 83.28% | 93.33% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.12% | 94.33% |
CHEMBL2514 | O95665 | Neurotensin receptor 2 | 82.61% | 100.00% |
CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 80.74% | 95.36% |
CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 80.45% | 96.03% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.33% | 93.03% |
CHEMBL3024 | P53350 | Serine/threonine-protein kinase PLK1 | 80.29% | 97.43% |
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.
Broussonetia kazinoki |
Broussonetia papyrifera |
PubChem | 10644810 |
LOTUS | LTS0181015 |
wikiData | Q105132606 |