[7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate
| Internal ID | 4d854670-582b-44ff-ba00-cf2b4a8f8eec |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H52O2/c1-21(2)22(3)9-10-23(4)24-13-15-30(8)26-12-11-25-28(5,6)27(34-20-33)14-16-31(25)19-32(26,31)18-17-29(24,30)7/h20-21,23-27H,3,9-19H2,1-2,4-8H3 |
| InChI Key | BWOWNRHCEVIQKW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H52O2 |
| Molecular Weight | 468.80 g/mol |
| Exact Mass | 468.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 10.90 |
| There are no found synonyms. |
![2D Structure of [7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate](https://plantaedb.com/storage/docs/compounds/2023/11/d363f4d0-883f-11ee-a219-4f35b7b07ba8.jpg "2D Structure of [7,7,12,16-Tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] formate")
| 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 | 99.28% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 95.57% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.53% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 93.57% | 90.24% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.04% | 96.61% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.86% | 96.61% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.58% | 95.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 91.34% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.62% | 98.95% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 89.90% | 94.78% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.68% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.32% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.25% | 93.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.22% | 94.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.04% | 82.69% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.45% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.31% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.21% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.40% | 91.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.28% | 99.18% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 83.44% | 98.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.01% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.70% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.04% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.78% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.66% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.48% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.40% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.29% | 100.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.74% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.66% | 96.21% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.54% | 95.50% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.45% | 91.24% |
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.
| Euphorbia retusa |
| PubChem | 74959365 |
| LOTUS | LTS0079644 |
| wikiData | Q104947489 |