methyl (1S,2R,3S,6S,7S)-3-(1-acetyloxy-5,6-dihydroxy-6-methylhept-2-en-2-yl)-6-methyl-8-oxatricyclo[5.2.2.01,6]undecane-2-carboxylate
| Internal ID | bceb0738-b90e-4c79-8bd4-0fa146fba38b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl (1S,2R,3S,6S,7S)-3-(1-acetyloxy-5,6-dihydroxy-6-methylhept-2-en-2-yl)-6-methyl-8-oxatricyclo[5.2.2.01,6]undecane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H36O7/c1-14(24)29-12-15(6-7-17(25)21(2,3)27)16-8-10-22(4)18-9-11-23(22,13-30-18)19(16)20(26)28-5/h6,16-19,25,27H,7-13H2,1-5H3/t16-,17?,18+,19+,22-,23+/m1/s1 |
| InChI Key | PVGXBCPJSPFGIO-HQGCKLMVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O7 |
| Molecular Weight | 424.50 g/mol |
| Exact Mass | 424.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of methyl (1S,2R,3S,6S,7S)-3-(1-acetyloxy-5,6-dihydroxy-6-methylhept-2-en-2-yl)-6-methyl-8-oxatricyclo[5.2.2.01,6]undecane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/428c51d0-8548-11ee-afc9-471a22b7dc54.jpg "2D Structure of methyl (1S,2R,3S,6S,7S)-3-(1-acetyloxy-5,6-dihydroxy-6-methylhept-2-en-2-yl)-6-methyl-8-oxatricyclo[5.2.2.01,6]undecane-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.96% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.51% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.00% | 96.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.87% | 94.45% |
| CHEMBL204 | P00734 | Thrombin | 95.84% | 96.01% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.77% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.52% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.71% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 92.38% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.10% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 90.11% | 95.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.85% | 92.88% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 89.43% | 95.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.33% | 94.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.81% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.59% | 91.07% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.23% | 97.28% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.20% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.84% | 96.47% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.78% | 82.69% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 86.58% | 89.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.24% | 95.56% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.25% | 95.00% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 85.14% | 97.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.98% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.94% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.32% | 89.50% |
| CHEMBL5028 | O14672 | ADAM10 | 83.51% | 97.50% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.32% | 82.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.19% | 100.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.88% | 96.90% |
| CHEMBL240 | Q12809 | HERG | 82.48% | 89.76% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.79% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.52% | 100.00% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.95% | 94.66% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.61% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 162909593 |
| LOTUS | LTS0217203 |
| wikiData | Q105215448 |