Viridomonic acid B
| Internal ID | a7a3c368-abab-402d-b56c-e9b1d039c87a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid esters |
| IUPAC Name | methyl (2Z)-2-[(3R,4S,6R,7R,8S,10S,12R,14S,16S)-6,16-diacetyloxy-3,7,12-trihydroxy-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoate |
| SMILES (Canonical) | CC1C(CCC2(C1C(C(C3(C2C(=O)C(C4C3(CC(C4=C(CCC=C(C)C)C(=O)OC)OC(=O)C)C)O)C)O)OC(=O)C)C)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](CC[C@]2(C1[C@H]([C@@H]([C@]3(C2C(=O)[C@@H](C\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)OC)OC(=O)C)C)O)C)O)OC(=O)C)C)O |
| InChI | InChI=1S/C34H50O10/c1-16(2)11-10-12-20(31(41)42-9)23-22(43-18(4)35)15-33(7)25(23)26(38)27(39)29-32(6)14-13-21(37)17(3)24(32)28(44-19(5)36)30(40)34(29,33)8/h11,17,21-22,24-26,28-30,37-38,40H,10,12-15H2,1-9H3/b23-20+/t17-,21-,22+,24?,25?,26-,28-,29?,30+,32+,33+,34-/m1/s1 |
| InChI Key | IGKNMILCWNUNMK-IACGKIQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H50O10 |
| Molecular Weight | 618.80 g/mol |
| Exact Mass | 618.34039779 g/mol |
| Topological Polar Surface Area (TPSA) | 157.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
| 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 | 98.21% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.56% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.96% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.28% | 94.45% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 92.22% | 82.69% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.69% | 94.33% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.68% | 85.30% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.96% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.10% | 95.71% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.88% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.95% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.70% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.80% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.70% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.40% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.30% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.26% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.12% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.07% | 91.24% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 80.97% | 98.99% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.82% | 98.03% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.48% | 96.90% |
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 | 139586967 |
| LOTUS | LTS0200728 |
| wikiData | Q77518184 |