[7,12,16-Trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12,15-trienoate
| Internal ID | ca5d1871-cbf9-4481-846b-858d1efc183f |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [7,12,16-trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12,15-trienoate |
| SMILES (Canonical) | CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC23CC24CCC5(C(CCC5(C4CCC3C1C)C)C(C)CCC(=C)C(C)C)C |
| SMILES (Isomeric) | CCC=CCC=CCC=CCCCCCCCC(=O)OC1CCC23CC24CCC5(C(CCC5(C4CCC3C1C)C)C(C)CCC(=C)C(C)C)C |
| InChI | InChI=1S/C48H78O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-44(49)50-42-30-32-47-35-48(47)34-33-45(7)40(38(5)26-25-37(4)36(2)3)29-31-46(45,8)43(48)28-27-41(47)39(42)6/h10-11,13-14,16-17,36,38-43H,4,9,12,15,18-35H2,1-3,5-8H3 |
| InChI Key | DAMHTSCQIZTQEP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H78O2 |
| Molecular Weight | 687.10 g/mol |
| Exact Mass | 686.60018173 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 16.60 |
| There are no found synonyms. |
![2D Structure of [7,12,16-Trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12,15-trienoate](https://plantaedb.com/storage/docs/compounds/2023/11/01fee480-8553-11ee-bbb4-4fead02c3876.jpg "2D Structure of [7,12,16-Trimethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] octadeca-9,12,15-trienoate")
| 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 | 98.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.71% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.43% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.73% | 90.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 95.24% | 97.93% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.28% | 95.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.32% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.18% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.58% | 97.79% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 91.39% | 90.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 90.91% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 90.01% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.31% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.41% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.88% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.65% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.49% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.48% | 94.75% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.43% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.36% | 96.95% |
| CHEMBL1829 | O15379 | Histone deacetylase 3 | 86.35% | 95.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.96% | 85.94% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.69% | 92.86% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.16% | 92.50% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.72% | 85.30% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.63% | 99.18% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.37% | 96.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 84.36% | 90.24% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.07% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.04% | 92.62% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 83.92% | 96.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.72% | 96.61% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.28% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.07% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.61% | 90.71% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 82.20% | 99.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.02% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.44% | 97.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.88% | 91.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.41% | 95.89% |
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.
| Goniophlebium mengtzeense |
| PubChem | 74817601 |
| LOTUS | LTS0072078 |
| wikiData | Q104973690 |