[(1R,3R,5S,6Z,10S,11R,12R,14S,15R)-12,14-diacetyloxy-3-[(2S)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2-oxo-4-oxatricyclo[9.4.0.03,5]pentadec-6-en-10-yl] butanoate
| Internal ID | 0ffae7ef-0de3-4643-a04a-9fe7dc989cb3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Briarane diterpenoids |
| IUPAC Name | [(1R,3R,5S,6Z,10S,11R,12R,14S,15R)-12,14-diacetyloxy-3-[(2S)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2-oxo-4-oxatricyclo[9.4.0.03,5]pentadec-6-en-10-yl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H42O10/c1-9-10-24(32)38-21-12-11-15(2)13-23-29(39-23,17(4)27(34)35-8)26(33)25-16(3)20(36-18(5)30)14-22(28(21,25)7)37-19(6)31/h13,16-17,20-23,25H,9-12,14H2,1-8H3/b15-13-/t16-,17+,20-,21-,22+,23-,25-,28+,29+/m0/s1 |
| InChI Key | NGLUOUFRVZNZPM-DBJOUZTOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H42O10 |
| Molecular Weight | 550.60 g/mol |
| Exact Mass | 550.27779753 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [(1R,3R,5S,6Z,10S,11R,12R,14S,15R)-12,14-diacetyloxy-3-[(2S)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2-oxo-4-oxatricyclo[9.4.0.03,5]pentadec-6-en-10-yl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/275eba50-8456-11ee-8b54-375166e0330c.jpg "2D Structure of [(1R,3R,5S,6Z,10S,11R,12R,14S,15R)-12,14-diacetyloxy-3-[(2S)-1-methoxy-1-oxopropan-2-yl]-7,11,15-trimethyl-2-oxo-4-oxatricyclo[9.4.0.03,5]pentadec-6-en-10-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.43% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.98% | 89.63% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.86% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.03% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.42% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.20% | 90.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.64% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.47% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.42% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.30% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.75% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.16% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.94% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.55% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.85% | 92.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.77% | 98.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.54% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.52% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.17% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.48% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.67% | 97.14% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.74% | 96.43% |
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 | 163044908 |
| LOTUS | LTS0098996 |
| wikiData | Q105179004 |