CID 163185734
| Internal ID | 85cb8e39-8b0e-41b2-a1a9-29046d6d3e70 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | |
| SMILES (Canonical) | CC1CCC(N2C1CCC3(C2)CC4(CC5C(CCC(N5C(C4)O)C6=COC=C6)C)S(=O)C3)C7=COC=C7 |
| SMILES (Isomeric) | C[C@H]1CC[C@@H](N2[C@H]1CC[C@]3(C2)C[C@@]4(C[C@H]5[C@@H](CC[C@H](N5[C@H](C4)O)C6=COC=C6)C)[S@@](=O)C3)C7=COC=C7 |
| InChI | InChI=1S/C30H42N2O4S/c1-20-3-5-25(22-8-11-35-15-22)31-18-29(10-7-24(20)31)17-30(37(34)19-29)13-27-21(2)4-6-26(23-9-12-36-16-23)32(27)28(33)14-30/h8-9,11-12,15-16,20-21,24-28,33H,3-7,10,13-14,17-19H2,1-2H3/t20-,21+,24-,25+,26-,27-,28-,29+,30-,37-/m0/s1 |
| InChI Key | UQNOPPBBKWJNHW-HHWPCFCISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H42N2O4S |
| Molecular Weight | 526.70 g/mol |
| Exact Mass | 526.28652900 g/mol |
| Topological Polar Surface Area (TPSA) | 89.30 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.42% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.99% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.10% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.49% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.82% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.79% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.49% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.72% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.50% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.54% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.92% | 99.23% |
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.
| Nuphar lutea |
| PubChem | 163185734 |
| LOTUS | LTS0101358 |
| wikiData | Q105277348 |