Spirotoamide C
| Internal ID | 529bb89d-f64e-4609-9b74-eb60cff1bdb4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids |
| IUPAC Name | (2E,4E)-10-[(2R,3S,4R,6R,8R,10S,11S)-4,10-dihydroxy-2,3,11-trimethyl-1-oxaspiro[5.5]undecan-8-yl]-4-ethyl-8-(hydroxymethyl)undeca-2,4-dienamide |
| SMILES (Canonical) | CCC(=CCCC(CC(C)C1CC(C(C2(C1)CC(C(C(O2)C)C)O)C)O)CO)C=CC(=O)N |
| SMILES (Isomeric) | CC/C(=C\CCC(CC(C)[C@@H]1C[C@@H]([C@@H]([C@@]2(C1)C[C@H]([C@@H]([C@H](O2)C)C)O)C)O)CO)/C=C/C(=O)N |
| InChI | InChI=1S/C27H47NO5/c1-6-21(10-11-26(28)32)8-7-9-22(16-29)12-17(2)23-13-24(30)19(4)27(14-23)15-25(31)18(3)20(5)33-27/h8,10-11,17-20,22-25,29-31H,6-7,9,12-16H2,1-5H3,(H2,28,32)/b11-10+,21-8+/t17?,18-,19+,20-,22?,23-,24+,25-,27-/m1/s1 |
| InChI Key | PHXYBYWODHKWQV-QBKUSTEBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H47NO5 |
| Molecular Weight | 465.70 g/mol |
| Exact Mass | 465.34542360 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.78% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.94% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.91% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 95.36% | 96.47% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 93.52% | 95.58% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 93.35% | 97.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 93.16% | 98.03% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 92.68% | 95.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.86% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.68% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.54% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.45% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.27% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.06% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.55% | 93.56% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 85.68% | 87.16% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.94% | 91.07% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 84.51% | 80.00% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 83.86% | 95.52% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.67% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.96% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.90% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 81.50% | 96.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.35% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.21% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.10% | 95.89% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.50% | 95.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.49% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.29% | 91.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.17% | 100.00% |
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.
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| There are no matching plants. |
| PubChem | 139589427 |
| LOTUS | LTS0082516 |
| wikiData | Q105209293 |