Albatrelin D
| Internal ID | 3edc0b47-f165-43f8-b7fc-cc6d5371eea6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,6,7-trimethyl-10-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[1]benzofuro[2,3-f]chromene-5,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H58O4/c1-28(2)15-11-17-30(5)19-13-20-32(7)22-23-35-37(45)27-33(8)38-39-34(9)40(46)43-36(42(39)47-41(35)38)24-26-44(10,48-43)25-14-21-31(6)18-12-16-29(3)4/h15-16,19,21-22,24,26-27,45-46H,11-14,17-18,20,23,25H2,1-10H3/b30-19+,31-21+,32-22+/t44-/m1/s1 |
| InChI Key | URKKJJQZOARVCY-IMZRLPGDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H58O4 |
| Molecular Weight | 650.90 g/mol |
| Exact Mass | 650.43351033 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 14.10 |
| CHEMBL2332226 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.51% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.81% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.99% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.97% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.03% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.38% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.14% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 89.60% | 92.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.25% | 91.49% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.94% | 95.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 86.54% | 95.34% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.13% | 99.15% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 83.50% | 91.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.54% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.34% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.14% | 96.95% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.99% | 93.18% |
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 | 71524351 |
| LOTUS | LTS0101119 |
| wikiData | Q77387207 |