Zizimauritic Acid C
| Internal ID | 1aed3b22-3aff-48d2-882f-5c05a457337b |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones |
| IUPAC Name | (3R,4R,5R,8R,9R,10S,13S,14S)-5'-hydroxy-9,14,17,17-tetramethyl-4-(2-methylprop-1-enyl)-2'-oxospiro[1,2,4,5,6,7,8,11,12,13-decahydrocyclopenta[a]phenanthrene-3,3'-oxolane]-10-carboxylic acid |
| SMILES (Canonical) | CC(=CC1C2CCC3C(C2(CCC14CC(OC4=O)O)C(=O)O)(CCC5C3(C=CC5(C)C)C)C)C |
| SMILES (Isomeric) | CC(=C[C@@H]1[C@H]2CC[C@H]3[C@]([C@@]2(CC[C@@]14CC(OC4=O)O)C(=O)O)(CC[C@@H]5[C@@]3(C=CC5(C)C)C)C)C |
| InChI | InChI=1S/C29H42O5/c1-17(2)15-19-18-7-8-21-26(5)12-11-25(3,4)20(26)9-10-27(21,6)29(18,23(31)32)14-13-28(19)16-22(30)34-24(28)33/h11-12,15,18-22,30H,7-10,13-14,16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22?,26+,27-,28-,29-/m1/s1 |
| InChI Key | HSWHHIVUFILTFY-NKMSWGSJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H42O5 |
| Molecular Weight | 470.60 g/mol |
| Exact Mass | 470.30322444 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 6.60 |
| CHEMBL2151977 |
| 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 | 93.62% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 87.33% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.18% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.03% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.65% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.74% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.65% | 93.04% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.02% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.20% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.15% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.56% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.48% | 97.25% |
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.
| Ziziphus mauritiana |
| PubChem | 71460246 |
| LOTUS | LTS0092547 |
| wikiData | Q105033289 |