[(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,13,15,16-tetraacetyloxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.03,5.03,8.017,19]nonadec-9-en-12-yl] acetate
| Internal ID | 556425ab-bf78-462a-8216-fe0bad2ddceb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,13,15,16-tetraacetyloxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.03,5.03,8.017,19]nonadec-9-en-12-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H38O14/c1-12-10-18(37-13(2)31)22(39-15(4)33)27(7)21(28(8)24(43-28)20(38-14(3)32)23(27)40-16(5)34)25(41-17(6)35)30-19(11-12)42-26(36)29(30,9)44-30/h11,18-25H,10H2,1-9H3/b12-11-/t18-,19+,20-,21+,22+,23-,24+,25-,27-,28-,29-,30-/m1/s1 |
| InChI Key | BMPAVEZYCJNGOA-RRRMMJGSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H38O14 |
| Molecular Weight | 622.60 g/mol |
| Exact Mass | 622.22615588 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,13,15,16-tetraacetyloxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.03,5.03,8.017,19]nonadec-9-en-12-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4d2c0590-8596-11ee-a024-57ec45607c67.jpg "2D Structure of [(1R,2R,3R,5S,8S,9Z,12R,13R,14R,15S,16R,17S,19R)-2,13,15,16-tetraacetyloxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.03,5.03,8.017,19]nonadec-9-en-12-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 | 95.86% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.65% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.39% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.50% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.83% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.39% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.79% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.30% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.50% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.34% | 97.14% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.01% | 93.03% |
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.
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| There are no matching plants. |
| PubChem | 163020831 |
| LOTUS | LTS0053647 |
| wikiData | Q104938480 |