2-[6-[4,9-dihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxofuran-2-ylidene)undec-2-en-2-yl]-4-ethyl-3,6-dihydro-2H-pyran-2-yl]propanoic acid
| Internal ID | 3a8600b9-d622-4955-851c-6375e0869212 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 2-[6-[4,9-dihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxofuran-2-ylidene)undec-2-en-2-yl]-4-ethyl-3,6-dihydro-2H-pyran-2-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H46O8/c1-9-22-14-25(38-26(15-22)21(6)29(33)34)18(3)16-30(7,35)11-10-24(36-8)20(5)28(32)17(2)12-27-23(31)13-19(4)37-27/h12-14,16-17,20-21,24-26,28,32,35H,9-11,15H2,1-8H3,(H,33,34) |
| InChI Key | HGZZJECQIVGACE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H46O8 |
| Molecular Weight | 534.70 g/mol |
| Exact Mass | 534.31926842 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 2-[6-[4,9-dihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxofuran-2-ylidene)undec-2-en-2-yl]-4-ethyl-3,6-dihydro-2H-pyran-2-yl]propanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/75f18050-8634-11ee-96f7-5bc3a8f394cd.jpg "2D Structure of 2-[6-[4,9-dihydroxy-7-methoxy-4,8,10-trimethyl-11-(5-methyl-3-oxofuran-2-ylidene)undec-2-en-2-yl]-4-ethyl-3,6-dihydro-2H-pyran-2-yl]propanoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.07% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.90% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.00% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.92% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.14% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.93% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.70% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.99% | 97.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.59% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.14% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.31% | 96.47% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.90% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.95% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.70% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.56% | 99.23% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.27% | 97.21% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.26% | 97.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.81% | 94.45% |
| CHEMBL5028 | O14672 | ADAM10 | 81.41% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.24% | 95.50% |
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 | 73803677 |
| LOTUS | LTS0107631 |
| wikiData | Q104167844 |