(1,10,15,24,25,26-Hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl) 2-methylbut-2-enoate
| Internal ID | f053563e-da90-4a7b-8a19-b3fe22813e98 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (1,10,15,24,25,26-hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CCC2(C3C1(COC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CCC2(C3C1(COC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C |
| InChI | InChI=1S/C33H51NO9/c1-6-19(3)26(36)43-25-11-12-27(4)20-8-9-21-30(39)13-24(35)33(41)22(15-34-14-18(2)7-10-23(34)28(33,5)37)31(30,40)16-32(21,27)42-17-29(20,25)38/h6,18,20-25,35,37-41H,7-17H2,1-5H3 |
| InChI Key | UWGBIKPRXRSRNM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H51NO9 |
| Molecular Weight | 605.80 g/mol |
| Exact Mass | 605.35638220 g/mol |
| Topological Polar Surface Area (TPSA) | 160.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (1,10,15,24,25,26-Hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f99c2bc0-85fe-11ee-9e2f-bdf43acb6bc5.jpg "2D Structure of (1,10,15,24,25,26-Hexahydroxy-6,20,24-trimethyl-12-oxa-18-azaheptacyclo[13.12.0.02,13.05,10.06,13.016,25.018,23]heptacosan-9-yl) 2-methylbut-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 97.74% | 95.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.14% | 96.09% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 96.50% | 89.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.93% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.75% | 94.45% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.02% | 96.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.26% | 92.94% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.36% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.38% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.18% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.06% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.05% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.57% | 90.17% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.28% | 94.78% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 86.13% | 97.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.06% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.00% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.43% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.39% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.35% | 91.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.86% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.73% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.22% | 91.07% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 83.52% | 80.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.63% | 96.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.40% | 91.19% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.45% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.44% | 97.09% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.16% | 91.03% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.13% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.80% | 99.23% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.13% | 100.00% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.03% | 95.71% |
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 oblongum |
| PubChem | 162889892 |
| LOTUS | LTS0129119 |
| wikiData | Q105280343 |