cryptoechinuline G
| Internal ID | f0e373c7-97ee-4967-8674-d9e044eaad21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3Z)-3-[[2-(2-methylbut-3-en-2-yl)-4,5-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1)NC(=C2C=C3C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1)NC(=C2/C=C\3/C(=O)NC(=C)C(=O)N3)C(C)(C)C=C)CC=C(C)C)C |
| InChI | InChI=1S/C29H35N3O2/c1-9-29(7,8)26-22(16-24-28(34)30-19(6)27(33)32-24)25-21(14-11-18(4)5)20(12-10-17(2)3)13-15-23(25)31-26/h9-11,13,15-16,31H,1,6,12,14H2,2-5,7-8H3,(H,30,34)(H,32,33)/b24-16- |
| InChI Key | HPZFXKBNCMYWKJ-JLPGSUDCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H35N3O2 |
| Molecular Weight | 457.60 g/mol |
| Exact Mass | 457.27292737 g/mol |
| Topological Polar Surface Area (TPSA) | 74.00 Ų |
| XlogP | 7.40 |
| CHEMBL251474 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.14% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.17% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 95.05% | 98.59% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.88% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.70% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.95% | 91.49% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.64% | 92.88% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.88% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.68% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.65% | 96.90% |
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.
| There are no matching plants. |
| PubChem | 21586651 |
| LOTUS | LTS0210220 |
| wikiData | Q105109945 |