[(1R,2R,3R,4R,5R,6R)-6-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,5-trihydroxy-3-methyl-4-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate
| Internal ID | fbd6a553-7ba3-4099-a158-c9c939870c0f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,2R,3R,4R,5R,6R)-6-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,5-trihydroxy-3-methyl-4-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O11/c1-11-15(4)26(34)39-20(29(8,9)37)14-19(31)18(7)21-22(32)25(41-28(36)17(6)13-3)30(10,38)24(33)23(21)40-27(35)16(5)12-2/h11-13,19-25,31-33,37-38H,7,14H2,1-6,8-10H3/b15-11-,16-12-,17-13-/t19-,20-,21-,22-,23-,24-,25-,30-/m1/s1 |
| InChI Key | NRTABNRYMNHDIC-PLNSTTKJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H46O11 |
| Molecular Weight | 582.70 g/mol |
| Exact Mass | 582.30401228 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3R,4R,5R,6R)-6-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,5-trihydroxy-3-methyl-4-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/66361f50-8592-11ee-88cd-817974c5d7a5.jpg "2D Structure of [(1R,2R,3R,4R,5R,6R)-6-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,5-trihydroxy-3-methyl-4-[(Z)-2-methylbut-2-enoyl]oxycyclohexyl] (Z)-2-methylbut-2-enoate")
| 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 | 98.55% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.20% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.78% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.65% | 89.34% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.14% | 91.07% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 87.20% | 98.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.40% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.89% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.84% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.64% | 90.17% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 83.43% | 94.97% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.11% | 99.17% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.03% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.76% | 94.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.59% | 91.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.53% | 95.17% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.52% | 80.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.15% | 89.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.04% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.00% | 83.82% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.06% | 91.19% |
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.
| Ligularia lankongensis |
| PubChem | 162903884 |
| LOTUS | LTS0090659 |
| wikiData | Q105184797 |