(10,13,14,22-Tetrahydroxy-6,10,19-trimethyl-23-oxo-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,22.019,25]hexacosan-12-yl) 2-methylbut-2-enoate
| Internal ID | 4872eab9-1dd3-4e50-9620-0677c8fee125 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | (10,13,14,22-tetrahydroxy-6,10,19-trimethyl-23-oxo-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,22.019,25]hexacosan-12-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C2C(CN3CC(CCC3C2(C)O)C)C4CC56C(C4(C1O)O)CCC7C5(CCC7(C(=O)O6)O)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C2C(CN3CC(CCC3C2(C)O)C)C4CC56C(C4(C1O)O)CCC7C5(CCC7(C(=O)O6)O)C |
| InChI | InChI=1S/C32H47NO8/c1-6-17(3)26(35)40-24-23-18(15-33-14-16(2)7-10-22(33)29(23,5)37)19-13-31-21(32(19,39)25(24)34)9-8-20-28(31,4)11-12-30(20,38)27(36)41-31/h6,16,18-25,34,37-39H,7-15H2,1-5H3 |
| InChI Key | IYZYKWQSJTULSG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H47NO8 |
| Molecular Weight | 573.70 g/mol |
| Exact Mass | 573.33016746 g/mol |
| Topological Polar Surface Area (TPSA) | 137.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (10,13,14,22-Tetrahydroxy-6,10,19-trimethyl-23-oxo-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,22.019,25]hexacosan-12-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/67ec72a0-86ec-11ee-9f53-b53064bad630.jpg "2D Structure of (10,13,14,22-Tetrahydroxy-6,10,19-trimethyl-23-oxo-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,22.019,25]hexacosan-12-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.29% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.44% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.16% | 89.00% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 90.66% | 94.78% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.36% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.31% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.19% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.87% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.80% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.13% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.00% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.79% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.64% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.23% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.26% | 97.25% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.38% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.64% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.62% | 96.43% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.25% | 89.05% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.81% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.00% | 94.75% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.86% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.28% | 99.23% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 81.66% | 92.98% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.51% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.36% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.45% | 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.
To see more specific details click the taxa you are interested in.
| Veratrum grandiflorum |
| PubChem | 74346953 |
| LOTUS | LTS0088573 |
| wikiData | Q105123080 |