[5-acetyloxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate
| Internal ID | 43291a7e-d8f1-430b-945a-b91c77126502 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [5-acetyloxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1C(C(C(=C)C23C1(C(CC2O3)C4=CC(=O)OC4O)C)C5(C=CC(=O)C(C5CC(=O)OC)(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1C(C(C(=C)C23C1(C(CC2O3)C4=CC(=O)OC4O)C)C5(C=CC(=O)C(C5CC(=O)OC)(C)C)C)OC(=O)C |
| InChI | InChI=1S/C33H42O11/c1-15(2)28(38)43-27-26(41-17(4)34)25(31(7)11-10-21(35)30(5,6)20(31)14-23(36)40-9)16(3)33-22(44-33)13-19(32(27,33)8)18-12-24(37)42-29(18)39/h10-12,15,19-20,22,25-27,29,39H,3,13-14H2,1-2,4-9H3 |
| InChI Key | OGMROCOZSBPWSY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H42O11 |
| Molecular Weight | 614.70 g/mol |
| Exact Mass | 614.27271215 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [5-acetyloxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/52135e60-8592-11ee-90c2-231f272af855.jpg "2D Structure of [5-acetyloxy-3-(2-hydroxy-5-oxo-2H-furan-3-yl)-6-[6-(2-methoxy-2-oxoethyl)-1,5,5-trimethyl-4-oxocyclohex-2-en-1-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-methylpropanoate")
| 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 | 99.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.94% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.25% | 85.14% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.93% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.44% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.23% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.26% | 92.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.00% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.94% | 95.89% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.66% | 98.03% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.18% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.13% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.60% | 91.07% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.23% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.47% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.28% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.26% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.87% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.66% | 97.25% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.65% | 85.30% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.47% | 94.33% |
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.
| Turraea pubescens |
| PubChem | 162963835 |
| LOTUS | LTS0093506 |
| wikiData | Q105191717 |