Kadcoccilactone I
| Internal ID | 0cf089d7-dc2a-4bc9-a126-27a4436f3aa0 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [(1S,3R,7R,10S,12R,13R,14S,15S,17R,18S,19S,21S)-1,12-dihydroxy-9,9,14,18-tetramethyl-19-(4-methyl-5-oxooxolan-2-yl)-5-oxo-4,8,20-trioxahexacyclo[11.10.0.03,7.03,10.014,21.017,21]tricosan-15-yl] acetate |
| SMILES (Canonical) | CC1CC(OC1=O)C2C(C3CC(C4(C3(O2)CCC5(C4C(CC6C(OC7C6(C5)OC(=O)C7)(C)C)O)O)C)OC(=O)C)C |
| SMILES (Isomeric) | C[C@H]1[C@H]2C[C@@H]([C@]3([C@@]2(CC[C@]4([C@H]3[C@@H](C[C@@H]5[C@]6(C4)[C@@H](CC(=O)O6)OC5(C)C)O)O)O[C@@H]1C7CC(C(=O)O7)C)C)OC(=O)C |
| InChI | InChI=1S/C31H44O10/c1-14-9-19(38-26(14)35)24-15(2)17-10-21(37-16(3)32)28(6)25-18(33)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h14-15,17-22,24-25,33,36H,7-13H2,1-6H3/t14?,15-,17+,18+,19?,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1 |
| InChI Key | QWSVMFDDOBRKPA-JGLPIVIXSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C31H44O10 |
| Molecular Weight | 576.70 g/mol |
| Exact Mass | 576.29344760 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.10 |
| CHEMBL444702 |
| 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 | 98.17% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.65% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.10% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.75% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.49% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.87% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.73% | 91.19% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.70% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.24% | 95.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.49% | 97.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.44% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.51% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.42% | 97.09% |
| CHEMBL2431 | P31751 | Serine/threonine-protein kinase AKT2 | 83.42% | 98.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.24% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.93% | 97.79% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.33% | 93.67% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.96% | 89.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.10% | 97.28% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.66% | 93.04% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.48% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.08% | 98.95% |
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.
| Kadsura coccinea |
| PubChem | 44567836 |
| LOTUS | LTS0156874 |
| wikiData | Q105229374 |