1,11-dideacetyl pyripyropene A
| Internal ID | dd40a858-c4a9-4e50-92b7-df2f4c08e134 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Hydroxysteroids > 1-hydroxysteroids |
| IUPAC Name | [(1S,2S,5S,6R,7R,9S,10S,18R)-5,18-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO8/c1-14(30)34-20-11-18-25(2,8-7-19(31)26(18,3)13-29)23-22(32)21-17(36-27(20,23)4)10-16(35-24(21)33)15-6-5-9-28-12-15/h5-6,9-10,12,18-20,22-23,29,31-32H,7-8,11,13H2,1-4H3/t18-,19+,20+,22+,23-,25+,26+,27-/m1/s1 |
| InChI Key | VEVRHRCWDFOGJW-ODHUSUJMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H33NO8 |
| Molecular Weight | 499.60 g/mol |
| Exact Mass | 499.22061701 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 1.90 |
| [(1S,2S,5S,6R,7R,9S,10S,18R)-5,18-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-9-yl] acetate |
| ((1S,2S,5S,6R,7R,9S,10S,18R)-5,18-dihydroxy-6-(hydroxymethyl)-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo(8.8.0.02,7.012,17)octadeca-12(17),13-dien-9-yl) acetate |
| RefChem:71177 |
| (5AS,6S,7ar,8R,9S,11as,11BS,12R)-9,12-dihydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,7a,8,9,10,11,11a,11b,12-dodecahydro-2,5-dioxatetraphen-6-yl acetic acid |
| CHEBI:216076 |
| 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 |
|---|---|---|---|---|
| CHEMBL4465 | O75908 | Acyl coenzyme A:cholesterol acyltransferase 2 | 97.80% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.53% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.56% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.32% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.03% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.02% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.79% | 85.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 91.79% | 81.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.83% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.23% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 85.87% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.81% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.71% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.57% | 92.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.74% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.79% | 99.17% |
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 | 10649029 |
| LOTUS | LTS0240634 |
| wikiData | Q105284887 |