Germinaline
| Internal ID | e2feac37-3b23-481e-bebe-a1ed6efb4a4f |
| 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] 3-acetyloxy-2-hydroxy-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)OC(=O)C)O)O)C)O)O)O |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(CC6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(C(C)OC(=O)C)O)O)C)O)O)O |
| InChI | InChI=1S/C39H61NO13/c1-9-19(3)32(44)52-31-29(43)28-22(17-40-16-18(2)10-11-26(40)36(28,8)47)23-15-37-30(38(23,31)48)24(42)14-25-34(37,6)13-12-27(39(25,49)53-37)51-33(45)35(7,46)20(4)50-21(5)41/h18-20,22-31,42-43,46-49H,9-17H2,1-8H3 |
| InChI Key | CPINTEKYWNYXNP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H61NO13 |
| Molecular Weight | 751.90 g/mol |
| Exact Mass | 751.41429100 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 1.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.93% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.76% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.17% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.39% | 96.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 94.95% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.04% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.90% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.66% | 97.14% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.50% | 95.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.02% | 82.69% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 91.71% | 95.36% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 91.63% | 97.28% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 91.06% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.49% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.82% | 93.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.73% | 89.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 89.73% | 98.03% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 89.65% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.93% | 100.00% |
| CHEMBL204 | P00734 | Thrombin | 88.49% | 96.01% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.43% | 82.50% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 88.01% | 97.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.30% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.71% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.52% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.45% | 96.90% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.03% | 94.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.72% | 97.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.56% | 91.03% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.13% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.97% | 89.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.94% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.77% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.67% | 91.11% |
| CHEMBL4660 | P28907 | Lymphocyte differentiation antigen CD38 | 83.61% | 95.27% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.22% | 95.71% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.97% | 97.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.50% | 96.47% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.28% | 94.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.92% | 95.71% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.80% | 98.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.67% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.02% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.67% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.64% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.64% | 96.38% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 80.16% | 99.00% |
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 album |
| Veratrum lobelianum |
| PubChem | 3403655 |
| LOTUS | LTS0075135 |
| wikiData | Q104967572 |