[10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-methylbutanoate
| Internal ID | dc47b820-802b-417b-bf36-a0deb9c56502 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | [10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1CCC2(C3C1(OC24CC5C6CN7CC(CCC7C(C6C(C(C5(C4C(C3)O)O)OC(=O)C(C)CC)O)(C)O)C)O)C |
| SMILES (Isomeric) | CCC(C)C(=O)OC1CCC2(C3C1(OC24CC5C6CN7CC(CCC7C(C6C(C(C5(C4C(C3)O)O)OC(=O)C(C)CC)O)(C)O)C)O)C |
| InChI | InChI=1S/C37H59NO10/c1-8-19(4)31(41)46-26-12-13-33(6)24-14-23(39)29-35(33,48-37(24,26)45)15-22-21-17-38-16-18(3)10-11-25(38)34(7,43)27(21)28(40)30(36(22,29)44)47-32(42)20(5)9-2/h18-30,39-40,43-45H,8-17H2,1-7H3 |
| InChI Key | JXFGWSCYDZJNIC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H59NO10 |
| Molecular Weight | 677.90 g/mol |
| Exact Mass | 677.41389708 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/f32d1ca0-857c-11ee-ba6b-ed46cb97af07.jpg "2D Structure of [10,12,14,16,23-Pentahydroxy-6,10,19-trimethyl-13-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.68% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.37% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 96.89% | 89.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.46% | 96.77% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 92.67% | 98.03% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.26% | 95.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.24% | 98.95% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 91.29% | 95.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.29% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.91% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.51% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.28% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.62% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.23% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.71% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.68% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.36% | 90.71% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.18% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.71% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.76% | 92.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.69% | 96.47% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.23% | 82.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.81% | 97.28% |
| CHEMBL204 | P00734 | Thrombin | 85.16% | 96.01% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.02% | 100.00% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 84.91% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.81% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.16% | 89.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.09% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.74% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.46% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.44% | 95.89% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.08% | 97.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.08% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.85% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.81% | 89.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.66% | 93.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.13% | 94.00% |
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.
To see more specific details click the taxa you are interested in.
| Veratrum lobelianum |
| PubChem | 163096645 |
| LOTUS | LTS0172246 |
| wikiData | Q105136556 |