calyciphylline N
| Internal ID | e1da8683-4ff8-4f91-905c-6653700925d6 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives |
| IUPAC Name | methyl (1S,5S,6R,9S,10S,16R,17R,20R)-20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-diene-17-carboxylate |
| SMILES (Canonical) | CC1CN=C2C13CCC4(C25CC(C6C5=C(CC6)CCC4C3O)C(=O)OC)C |
| SMILES (Isomeric) | C[C@@H]1CN=C2[C@@]13CC[C@@]4([C@]25C[C@H]([C@@H]6C5=C(CC6)CC[C@@H]4[C@H]3O)C(=O)OC)C |
| InChI | InChI=1S/C23H31NO3/c1-12-11-24-20-22(12)9-8-21(2)16(18(22)25)7-5-13-4-6-14-15(19(26)27-3)10-23(20,21)17(13)14/h12,14-16,18,25H,4-11H2,1-3H3/t12-,14-,15-,16-,18-,21+,22+,23+/m1/s1 |
| InChI Key | XGNHYBVLNTWPIF-SVNJQFOBSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C23H31NO3 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 1.80 |
| CHEMBL563396 |
| methyl (1S,5S,6R,9S,10S,16R,17R,20R)-20-hydroxy-5,9-dimethyl-3-azahexacyclo[11.5.1.16,10.01,9.02,6.016,19]icosa-2,13(19)-diene-17-carboxylate |
| 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% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.06% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.56% | 91.11% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 89.92% | 97.53% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.53% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.96% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.83% | 94.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.50% | 98.95% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.40% | 95.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.78% | 97.25% |
| CHEMBL2034 | P04150 | Glucocorticoid receptor | 82.53% | 94.82% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.11% | 97.33% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 80.81% | 86.67% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.68% | 94.45% |
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.
| Daphniphyllum calycinum |
| PubChem | 25209367 |
| LOTUS | LTS0112633 |
| wikiData | Q105327682 |