15-(4-Ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane
| Internal ID | fc308f5a-a990-4a8a-8079-7bef625ecd2d |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | 15-(4-ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane |
| SMILES (Canonical) | CCC(CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C)C(=C)C(C)C |
| SMILES (Isomeric) | CCC(CC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC)C)C)C(=C)C(C)C |
| InChI | InChI=1S/C34H58O/c1-11-25(24(5)22(2)3)20-23(4)26-14-16-32(9)28-13-12-27-30(6,7)29(35-10)15-17-33(27)21-34(28,33)19-18-31(26,32)8/h22-23,25-29H,5,11-21H2,1-4,6-10H3 |
| InChI Key | NRFWQVFPTVBADN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H58O |
| Molecular Weight | 482.80 g/mol |
| Exact Mass | 482.448766469 g/mol |
| Topological Polar Surface Area (TPSA) | 9.20 Ų |
| XlogP | 11.70 |
| There are no found synonyms. |
![2D Structure of 15-(4-Ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane](https://plantaedb.com/storage/docs/compounds/2023/11/51814650-85fb-11ee-beeb-0dccbf0e5526.jpg "2D Structure of 15-(4-Ethyl-6-methyl-5-methylideneheptan-2-yl)-6-methoxy-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.35% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.65% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 96.10% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.59% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.34% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.73% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.32% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.70% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.02% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 87.94% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 87.75% | 96.61% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.16% | 95.89% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.45% | 95.17% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.75% | 97.93% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.40% | 92.88% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.92% | 99.18% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.42% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.07% | 96.61% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.59% | 97.64% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.17% | 92.86% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.07% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.54% | 90.17% |
| CHEMBL268 | P43235 | Cathepsin K | 82.09% | 96.85% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.89% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.54% | 94.75% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.49% | 96.47% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 81.13% | 97.47% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 80.41% | 94.78% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.22% | 95.50% |
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.
| Murraya paniculata |
| PubChem | 162854016 |
| LOTUS | LTS0105457 |
| wikiData | Q105184518 |