(3R,6R,10R,11E,13S,16R,20R)-13-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,11,21-trien-8-one
| Internal ID | 823ca14d-bee3-4253-8502-b41fc32e9ab7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (3R,6R,10R,11E,13S,16R,20R)-13-ethenyl-2,3,6,10,13,16,20,21-octamethyl-17-methylidenedocosa-1,11,21-trien-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H56O/c1-13-33(12,21-19-31(11)30(10)17-16-29(9)25(4)5)20-18-27(7)23-32(34)22-26(6)14-15-28(8)24(2)3/h13,18,20,26-29,31H,1-2,4,10,14-17,19,21-23H2,3,5-9,11-12H3/b20-18+/t26-,27+,28-,29-,31-,33+/m1/s1 |
| InChI Key | KTULAUOJYAWTGC-MGQLVMQGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H56O |
| Molecular Weight | 468.80 g/mol |
| Exact Mass | 468.433116406 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 12.10 |
| 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 | 99.97% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.67% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.88% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.60% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.74% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.64% | 95.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.55% | 96.47% |
| CHEMBL4246 | P42680 | Tyrosine-protein kinase TEC | 87.35% | 82.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.34% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.79% | 89.50% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.28% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.85% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.40% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.27% | 97.29% |
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 | 163004390 |
| LOTUS | LTS0086221 |
| wikiData | Q105145972 |