CID 46882839
| Internal ID | ece3d075-7440-4cd2-b36a-624186033882 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2R)-2-[(2R,3R,3aR,6S,7S,9bR)-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H50O5/c1-19(2)21(5)10-11-22(29(35)36)28-26(33)18-32(8)25-13-12-23(20(3)4)30(6,16-15-27(34)37-9)24(25)14-17-31(28,32)7/h19,22-23,26,28,33H,3,5,10-18H2,1-2,4,6-9H3,(H,35,36)/t22-,23+,26-,28+,30+,31-,32+/m1/s1 |
| InChI Key | JCSGIMZUEZTOAC-XNVOKYKKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H50O5 |
| Molecular Weight | 514.70 g/mol |
| Exact Mass | 514.36582469 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 7.00 |
| CHEMBL1078422 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.33% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.96% | 96.09% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.38% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.40% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.58% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.52% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.69% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.63% | 95.50% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.74% | 83.82% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.39% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 87.20% | 89.76% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.94% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.32% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.82% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.61% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.85% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.78% | 93.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.11% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.35% | 92.50% |
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.
| There are no matching plants. |
| PubChem | 46882839 |
| LOTUS | LTS0203812 |
| wikiData | Q105125065 |