Methyl 5-(6-acetyloxy-2-formyl-1-hydroxy-1,4,5,7a-tetramethyl-2,3,3a,5,6,7-hexahydroinden-4-yl)-3-methylpent-2-enoate
| Internal ID | 5ceb0a83-00ad-4bab-a07b-52d7d8958185 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | methyl 5-(6-acetyloxy-2-formyl-1-hydroxy-1,4,5,7a-tetramethyl-2,3,3a,5,6,7-hexahydroinden-4-yl)-3-methylpent-2-enoate |
| SMILES (Canonical) | CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CC(C2(C)O)C=O)C)OC(=O)C |
| SMILES (Isomeric) | CC1C(CC2(C(C1(C)CCC(=CC(=O)OC)C)CC(C2(C)O)C=O)C)OC(=O)C |
| InChI | InChI=1S/C23H36O6/c1-14(10-20(26)28-7)8-9-21(4)15(2)18(29-16(3)25)12-22(5)19(21)11-17(13-24)23(22,6)27/h10,13,15,17-19,27H,8-9,11-12H2,1-7H3 |
| InChI Key | IZFNLKDFWHUOCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O6 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.31% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.58% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.01% | 85.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.31% | 91.19% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.02% | 96.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.59% | 82.69% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.35% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.54% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.12% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 86.64% | 95.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.74% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.87% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.71% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.17% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.81% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.13% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.07% | 95.89% |
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.
| Solidago altissima |
| PubChem | 162943147 |
| LOTUS | LTS0100992 |
| wikiData | Q105123173 |