[(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate
| Internal ID | 0050f48e-603c-453c-9f69-ca79292f61dd |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Cycloartanols and derivatives |
| IUPAC Name | [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-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/C32H52O3/c1-21(10-9-15-27(3,4)34)23-13-16-30(8)25-12-11-24-28(5,6)26(35-22(2)33)14-17-31(24)20-32(25,31)19-18-29(23,30)7/h9,15,21,23-26,34H,10-14,16-20H2,1-8H3/b15-9-/t21-,23-,24+,25+,26+,29-,30+,31-,32+/m1/s1 |
| InChI Key | PFVNANMTCLAEEE-ARTIDBBESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H52O3 |
| Molecular Weight | 484.80 g/mol |
| Exact Mass | 484.39164552 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-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/2023/11/0c109cf0-85ff-11ee-bce5-affce9ac9850.jpg "2D Structure of [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(Z,2R)-6-hydroxy-6-methylhept-4-en-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 | 98.85% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.43% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.43% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.13% | 98.75% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 88.50% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.18% | 96.95% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.15% | 97.47% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.87% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.43% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.25% | 95.89% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.13% | 97.79% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.94% | 91.07% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.88% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.30% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.79% | 89.50% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.35% | 95.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.69% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.57% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.79% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.78% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.41% | 97.14% |
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.
| Ficus pumila |
| PubChem | 10528888 |
| LOTUS | LTS0171771 |
| wikiData | Q105208175 |