Terracinolide L
| Internal ID | 6573f302-6961-4bb7-b371-c8bee4408ab0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | [(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,6,12,13-tetraacetyloxy-15-butan-2-yloxy-4-hydroxy-4,8,11,11-tetramethyl-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-14-yl] 2-methylpropanoate |
| SMILES (Canonical) | CCC(C)OC12CCC(=O)OC1C3C(C(CC3(C(=O)C(C=CC(C(C(C2OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C)(C)O)OC(=O)C |
| SMILES (Isomeric) | CCC(C)O[C@@]12CCC(=O)O[C@@H]1[C@H]3[C@H]([C@](C[C@@]3(C(=O)[C@H](/C=C/C([C@@H]([C@@H]([C@H]2OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C)(C)O)OC(=O)C |
| InChI | InChI=1S/C38H56O15/c1-13-21(5)52-37-17-15-26(43)50-31(37)27-30(48-23(7)40)36(12,46)18-38(27,53-25(9)42)29(44)20(4)14-16-35(10,11)32(49-24(8)41)28(47-22(6)39)33(37)51-34(45)19(2)3/h14,16,19-21,27-28,30-33,46H,13,15,17-18H2,1-12H3/b16-14+/t20-,21?,27+,28-,30+,31+,32+,33+,36+,37-,38+/m0/s1 |
| InChI Key | HFPAZJMZLASUCD-VOJHQUFTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C38H56O15 |
| Molecular Weight | 752.80 g/mol |
| Exact Mass | 752.36192108 g/mol |
| Topological Polar Surface Area (TPSA) | 204.00 Ų |
| XlogP | 4.00 |
| CHEMBL2074870 |
| 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 | 99.08% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.68% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.58% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 90.65% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.28% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.04% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.57% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.88% | 91.19% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 88.83% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.19% | 92.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.35% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.32% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.14% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.60% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.97% | 89.63% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.86% | 96.77% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.41% | 89.34% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.18% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.81% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.69% | 93.04% |
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.
| Euphorbia dendroides |
| PubChem | 70693173 |
| LOTUS | LTS0070401 |
| wikiData | Q105027441 |