[(1S,2E,6Z,8R,9S,10S)-10-acetyloxy-6-(acetyloxymethyl)-9-[(2S)-1-acetyloxypropan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate
| Internal ID | 8f527a10-a0d9-432a-a4f9-736731e8706f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Pentacarboxylic acids and derivatives |
| IUPAC Name | [(1S,2E,6Z,8R,9S,10S)-10-acetyloxy-6-(acetyloxymethyl)-9-[(2S)-1-acetyloxypropan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate |
| SMILES (Canonical) | CC1=CCCC(=CC(C(C(C1OC(=O)C(C)C(C)OC(=O)C)OC(=O)C)C(C)COC(=O)C)O)COC(=O)C |
| SMILES (Isomeric) | C/C/1=C\CC/C(=C/[C@H]([C@@H]([C@@H]([C@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C)OC(=O)C)[C@H](C)COC(=O)C)O)/COC(=O)C |
| InChI | InChI=1S/C28H42O11/c1-15-10-9-11-23(14-36-20(6)30)12-24(33)25(16(2)13-35-19(5)29)27(38-22(8)32)26(15)39-28(34)17(3)18(4)37-21(7)31/h10,12,16-18,24-27,33H,9,11,13-14H2,1-8H3/b15-10+,23-12-/t16-,17+,18-,24-,25+,26+,27+/m1/s1 |
| InChI Key | AMEGJGMXMRBPRX-OETKBUHMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42O11 |
| Molecular Weight | 554.60 g/mol |
| Exact Mass | 554.27271215 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of [(1S,2E,6Z,8R,9S,10S)-10-acetyloxy-6-(acetyloxymethyl)-9-[(2S)-1-acetyloxypropan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/30e7c1e0-868c-11ee-b2b7-01d626b6d80b.jpg "2D Structure of [(1S,2E,6Z,8R,9S,10S)-10-acetyloxy-6-(acetyloxymethyl)-9-[(2S)-1-acetyloxypropan-2-yl]-8-hydroxy-2-methylcyclodeca-2,6-dien-1-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.62% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.29% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.53% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.30% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.51% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.15% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.72% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.49% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.49% | 96.47% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.53% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.46% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.42% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.89% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.47% | 94.73% |
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.
| Salvia chinensis |
| PubChem | 163018684 |
| LOTUS | LTS0140047 |
| wikiData | Q104914573 |