[(6E,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-8-yl)oxydodeca-2,6,10-trien-5-yl] acetate
Internal ID | db5fd9aa-7631-4d0e-b47b-db7ae243a901 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | [(6E,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-8-yl)oxydodeca-2,6,10-trien-5-yl] acetate |
SMILES (Canonical) | CC(=CCC(C(=CC(CC(=CCOC1=CC=CC2=C1OC(=O)C=C2)C)O)C)OC(=O)C)C |
SMILES (Isomeric) | CC(=CCC(/C(=C/C(C/C(=C/COC1=CC=CC2=C1OC(=O)C=C2)/C)O)/C)OC(=O)C)C |
InChI | InChI=1S/C26H32O6/c1-17(2)9-11-23(31-20(5)27)19(4)16-22(28)15-18(3)13-14-30-24-8-6-7-21-10-12-25(29)32-26(21)24/h6-10,12-13,16,22-23,28H,11,14-15H2,1-5H3/b18-13+,19-16+ |
InChI Key | STBYJWOIDOZITH-VMTWLGHMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C26H32O6 |
Molecular Weight | 440.50 g/mol |
Exact Mass | 440.21988874 g/mol |
Topological Polar Surface Area (TPSA) | 82.10 Ų |
XlogP | 5.40 |
There are no found synonyms. |
![2D Structure of [(6E,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-8-yl)oxydodeca-2,6,10-trien-5-yl] acetate 2D Structure of [(6E,10E)-8-hydroxy-2,6,10-trimethyl-12-(2-oxochromen-8-yl)oxydodeca-2,6,10-trien-5-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/6e10e-8-hydroxy-2610-trimethyl-12-2-oxochromen-8-yloxydodeca-2610-trien-5-yl-acetate.jpg)
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 97.77% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.80% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.14% | 91.11% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.03% | 99.23% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.77% | 97.21% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.15% | 94.73% |
CHEMBL2535 | P11166 | Glucose transporter | 90.01% | 98.75% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.68% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.65% | 86.33% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.59% | 96.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.01% | 95.56% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.98% | 94.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.49% | 96.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.12% | 96.00% |
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.
Ferula assa-foetida |
PubChem | 101405001 |
LOTUS | LTS0164229 |
wikiData | Q105260139 |