(10,12,13,14,16,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate
| Internal ID | 141beb09-f604-445c-8ab8-25cd3c35a262 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate |
| SMILES (Canonical) | CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)C(CC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)O)(C)O |
| SMILES (Isomeric) | CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)C(CC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)O)(C)O |
| InChI | InChI=1S/C36H51NO11/c1-17-6-9-25-33(3,42)27-19(16-37(25)15-17)20-14-34-29(35(20,43)30(40)28(27)39)21(38)13-24-32(34,2)11-10-26(36(24,44)48-34)47-31(41)18-7-8-22(45-4)23(12-18)46-5/h7-8,12,17,19-21,24-30,38-40,42-44H,6,9-11,13-16H2,1-5H3 |
| InChI Key | XWPDBLOJNQWPDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H51NO11 |
| Molecular Weight | 673.80 g/mol |
| Exact Mass | 673.34621144 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of (10,12,13,14,16,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/6ea5e590-8580-11ee-879a-454dff932f2c.jpg "2D Structure of (10,12,13,14,16,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate")
| 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 | 98.56% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.06% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.95% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.73% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.09% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.00% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.50% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.45% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.31% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.32% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.84% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.82% | 97.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.58% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.53% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.20% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.11% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.82% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.35% | 97.28% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.90% | 98.95% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 83.85% | 89.05% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.75% | 93.99% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.48% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.38% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.08% | 91.19% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.69% | 85.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.54% | 96.90% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.98% | 96.21% |
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 dahuricum |
| PubChem | 14391709 |
| LOTUS | LTS0218411 |
| wikiData | Q105343687 |