[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | fafc6d77-bad7-4a1f-907c-bdf8aaa46eb3 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H58O2/c1-11-24(3)30(5,6)17-14-23(2)26-15-18-33(10)28-13-12-27-31(7,8)29(37-25(4)36)16-19-34(27)22-35(28,34)21-20-32(26,33)9/h23,26-29H,3,11-22H2,1-2,4-10H3/t23-,26-,27+,28+,29+,32-,33+,34-,35+/m1/s1 |
| InChI Key | UTMCOYCVYHNHLU-HLZHPGJHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H58O2 |
| Molecular Weight | 510.80 g/mol |
| Exact Mass | 510.44368109 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 12.00 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/71844720-8657-11ee-a948-53c3afe9e7c2.jpg "2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(2R)-5,5-dimethyl-6-methylideneoctan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate")
| 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 | 99.53% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.21% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.36% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.90% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.30% | 98.95% |
| CHEMBL233 | P35372 | Mu opioid receptor | 92.06% | 97.93% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.75% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.93% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.27% | 96.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 89.20% | 97.47% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.92% | 99.35% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.86% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.25% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.99% | 89.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.28% | 91.19% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.25% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.25% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.50% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.26% | 97.09% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 86.21% | 94.78% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.88% | 92.86% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.63% | 96.61% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.61% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.47% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.36% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.31% | 97.29% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.38% | 96.47% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.82% | 96.77% |
| CHEMBL240 | Q12809 | HERG | 83.41% | 89.76% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.39% | 93.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.17% | 82.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.16% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.05% | 97.14% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.11% | 95.36% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.43% | 95.50% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.38% | 91.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.37% | 95.71% |
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.
| Polypodium virginianum |
| PubChem | 21629931 |
| LOTUS | LTS0026508 |
| wikiData | Q105278870 |