3-cis-p-Coumaroyl maslinic acid
| Internal ID | b2b8521c-9afb-428b-ae07-4d790538f408 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(Z)-3-phenylprop-2-enoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| SMILES (Canonical) | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)OC(=O)C=CC6=CC=CC=C6)O)C)C)C2C1)C)C(=O)O)C |
| SMILES (Isomeric) | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)OC(=O)/C=C\C6=CC=CC=C6)O)C |
| InChI | InChI=1S/C39H54O5/c1-34(2)19-21-39(33(42)43)22-20-37(6)26(27(39)23-34)14-15-30-36(5)24-28(40)32(35(3,4)29(36)17-18-38(30,37)7)44-31(41)16-13-25-11-9-8-10-12-25/h8-14,16,27-30,32,40H,15,17-24H2,1-7H3,(H,42,43)/b16-13-/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1 |
| InChI Key | QYNZDAXHBDWWFS-GZOAODGCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C39H54O5 |
| Molecular Weight | 602.80 g/mol |
| Exact Mass | 602.39712482 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 9.20 |
| 3-cis-p-coumaroyl maslinic acid |
| BDBM50259786 |
| PD181338 |
| 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 | 98.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.28% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.21% | 90.17% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 93.88% | 92.98% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.20% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.71% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.93% | 98.95% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.74% | 93.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.54% | 94.62% |
| CHEMBL5028 | O14672 | ADAM10 | 86.45% | 97.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.45% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.93% | 93.99% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.89% | 94.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.70% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.60% | 94.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 82.22% | 96.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.26% | 95.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.25% | 91.71% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.15% | 93.03% |
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.
| Tetracera boiviniana |
| PubChem | 16664518 |
| LOTUS | LTS0159631 |
| wikiData | Q105230287 |