Casearin D
| Internal ID | bd1b118b-93d9-4a40-a49b-38b972bfd6ef |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | [(1S,3R,5R,6aS,7S,8S,9R,10R,10aS)-1-acetyloxy-3-butanoyloxy-5,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H44O9/c1-8-11-23(33)37-25-18(5)29(7,14-13-17(4)10-3)22-16-20(32)15-21-27(38-24(34)12-9-2)39-28(36-19(6)31)30(21,22)26(25)35/h10,13,15,18,20,22,25-28,32,35H,3,8-9,11-12,14,16H2,1-2,4-7H3/b17-13+/t18-,20+,22+,25-,26+,27+,28-,29-,30-/m1/s1 |
| InChI Key | UPJCAOKQHBUOLB-IDSOFMBTSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C30H44O9 |
| Molecular Weight | 548.70 g/mol |
| Exact Mass | 548.29853298 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 4.30 |
| [(1S,3R,5R,6As,7S,8S,9R,10R,10aS)-1-acetyloxy-3-butanoyloxy-5,10-dihydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate |
| 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 | 98.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.71% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.04% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.45% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.66% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.93% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.97% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.23% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.68% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.58% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.57% | 92.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.38% | 83.82% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.56% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.96% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.78% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.32% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.26% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.09% | 94.80% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.62% | 91.07% |
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.
| Casearia sylvestris |
| PubChem | 14060501 |
| LOTUS | LTS0158432 |
| wikiData | Q105276824 |