Veratroylzygadenine
| Internal ID | 82260e2a-ad69-4aff-8dcd-384610e4b478 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroidal alkaloids > Cerveratrum-type alkaloids |
| IUPAC Name | (10,12,13,14,23-pentahydroxy-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)CCC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)(C)O |
| SMILES (Isomeric) | CC1CCC2C(C3C(CN2C1)C4CC56C(C4(C(C3O)O)O)CCC7C5(CCC(C7(O6)O)OC(=O)C8=CC(=C(C=C8)OC)OC)C)(C)O |
| InChI | InChI=1S/C36H51NO10/c1-18-6-11-26-33(3,41)28-20(17-37(26)16-18)21-15-34-25(35(21,42)30(39)29(28)38)10-9-24-32(34,2)13-12-27(36(24,43)47-34)46-31(40)19-7-8-22(44-4)23(14-19)45-5/h7-8,14,18,20-21,24-30,38-39,41-43H,6,9-13,15-17H2,1-5H3 |
| InChI Key | LQZYJVWXEFXUJG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H51NO10 |
| Molecular Weight | 657.80 g/mol |
| Exact Mass | 657.35129682 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 2.10 |
| 31329-58-5 |
| Veratroylzygadenin |
| 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 | 98.18% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.97% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 95.41% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.55% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.81% | 97.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.83% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.02% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.87% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.87% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.62% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.73% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.86% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.60% | 90.71% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.80% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.30% | 90.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 84.77% | 89.05% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.55% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.20% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.79% | 95.78% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.91% | 97.28% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.61% | 91.07% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.42% | 96.21% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.20% | 96.90% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.92% | 94.05% |
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 dahuricum |
| Veratrum lobelianum |
| Veratrum maackii var. parviflorum |
| Veratrum nigrum |
| PubChem | 5171637 |
| LOTUS | LTS0108583 |
| wikiData | Q105156021 |