17-(5,6-dimethylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol
| Internal ID | 60b0832f-6b89-4698-9594-c7a7eab5a97c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | 17-(5,6-dimethylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H52O2/c1-19(2)20(3)10-11-21(4)22-18-27(33)31(9)23(22)12-13-25-29(7)16-15-26(32)28(5,6)24(29)14-17-30(25,31)8/h20,22-27,32-33H,1,4,10-18H2,2-3,5-9H3 |
| InChI Key | NMNLJGFXOPDWLJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H52O2 |
| Molecular Weight | 456.70 g/mol |
| Exact Mass | 456.396730897 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of 17-(5,6-dimethylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/f6bce0a0-8628-11ee-926f-277f5436dffc.jpg "2D Structure of 17-(5,6-dimethylhepta-1,6-dien-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,15-diol")
| 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 | 98.22% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.41% | 83.82% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 96.98% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.87% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 95.43% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.35% | 94.45% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 93.01% | 98.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.99% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.24% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 90.22% | 93.67% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.75% | 97.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.66% | 97.93% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 89.54% | 89.05% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.54% | 95.89% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.30% | 96.38% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 86.34% | 95.42% |
| CHEMBL240 | Q12809 | HERG | 86.16% | 89.76% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.92% | 92.86% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.76% | 95.58% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.70% | 94.75% |
| CHEMBL2095194 | P08709 | Coagulation factor VII/tissue factor | 85.29% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.64% | 95.89% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.61% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.60% | 90.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.30% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.76% | 91.03% |
| CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 82.32% | 97.86% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.46% | 85.11% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.42% | 95.36% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.36% | 100.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.07% | 93.10% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.04% | 95.34% |
| CHEMBL3055 | P50613 | Cyclin-dependent kinase 7 | 81.02% | 81.88% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.95% | 100.00% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 80.81% | 88.81% |
| CHEMBL268 | P43235 | Cathepsin K | 80.78% | 96.85% |
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.
| Salacia chinensis |
| PubChem | 162936528 |
| LOTUS | LTS0072566 |
| wikiData | Q105181880 |