[(1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,11-triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl] acetate
| Internal ID | 7911953f-14a0-4670-bd6f-eb030e983113 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [(1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,11-triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H38O12/c1-12-18(33)10-20(37-13(2)29)26(7)21(12)22(38-14(3)30)17-9-19(34)27(8)28(35,25(17,6)11-36-27)24(40-16(5)32)23(26)39-15(4)31/h17-18,20-24,33,35H,1,9-11H2,2-8H3/t17-,18-,20-,21-,22+,23-,24-,25-,26+,27+,28+/m0/s1 |
| InChI Key | NFUTVRWRWMCUTE-LEJHNKGISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H38O12 |
| Molecular Weight | 566.60 g/mol |
| Exact Mass | 566.23632664 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of [(1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,11-triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/bfe56b90-85d6-11ee-b6b8-43de08c337ce.jpg "2D Structure of [(1R,2S,3S,4R,5S,6S,8S,10R,11R,12R,15S)-3,4,11-triacetyloxy-2,8-dihydroxy-1,5,15-trimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.02,15.05,10]heptadecan-6-yl] acetate")
| 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 | 94.07% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.93% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.61% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.72% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.29% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.48% | 97.79% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.77% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.39% | 95.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.21% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.54% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.86% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.62% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.13% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.92% | 94.42% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.74% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.42% | 92.94% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 82.99% | 81.11% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.73% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.72% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.55% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.04% | 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.
| Celastrus hindsii |
| Semialarium mexicanum |
| Taxus canadensis |
| PubChem | 162918963 |
| LOTUS | LTS0125950 |
| wikiData | Q105223521 |