23-Hydroxy-14,15,16,17-tetradehydroveratraman-3-yl hexopyranoside
| Internal ID | 340943f7-3b6b-432f-8bad-823e60de99d3 |
| Taxonomy | Benzenoids > Fluorenes |
| IUPAC Name | 2-(hydroxymethyl)-6-[[9-[1-(3-hydroxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]oxane-3,4,5-triol |
| SMILES (Canonical) | CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)OC6C(C(C(C(O6)CO)O)O)O)C)O |
| SMILES (Isomeric) | CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)OC6C(C(C(C(O6)CO)O)O)O)C)O |
| InChI | InChI=1S/C33H49NO7/c1-16-11-26(36)28(34-14-16)18(3)21-7-8-22-23-6-5-19-12-20(9-10-33(19,4)25(23)13-24(22)17(21)2)40-32-31(39)30(38)29(37)27(15-35)41-32/h5,7-8,16,18,20,23,25-32,34-39H,6,9-15H2,1-4H3 |
| InChI Key | WXQHVBNTINGJJR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H49NO7 |
| Molecular Weight | 571.70 g/mol |
| Exact Mass | 571.35090290 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.70 |
| AKOS037514937 |
| FT-0776822 |
| 23-Hydroxy-14,15,16,17-tetradehydroveratraman-3-yl hexopyranoside |
| 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 | 98.91% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.78% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.08% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 98.01% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.65% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.77% | 94.45% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 96.67% | 89.05% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.52% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.52% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.44% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.22% | 93.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.09% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 91.18% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.02% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.59% | 85.14% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.20% | 94.45% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.18% | 89.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.50% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.32% | 89.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 85.87% | 95.56% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 85.66% | 98.10% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.34% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.81% | 95.56% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.47% | 91.24% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.58% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.25% | 86.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.64% | 96.21% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.47% | 92.88% |
| CHEMBL5028 | O14672 | ADAM10 | 80.11% | 97.50% |
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 | 12444739 |
| LOTUS | LTS0097283 |
| wikiData | Q105314840 |