asterolaurin A
| Internal ID | 288ee34b-3073-4b26-8b89-93d5f434c704 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids |
| IUPAC Name | [(1S,4S,6S,7R,10R,11R)-14-[(1R,2S)-1,2-diacetyloxy-4-methylpent-3-enyl]-7-hydroxy-4-methyl-9-methylidene-5,12-dioxatricyclo[8.4.0.04,6]tetradec-13-en-11-yl] acetate |
| SMILES (Canonical) | CC(=CC(C(C1=COC(C2C1CCC3(C(O3)C(CC2=C)O)C)OC(=O)C)OC(=O)C)OC(=O)C)C |
| SMILES (Isomeric) | CC(=C[C@@H]([C@@H](C1=CO[C@@H]([C@@H]2[C@@H]1CC[C@]3([C@@H](O3)[C@@H](CC2=C)O)C)OC(=O)C)OC(=O)C)OC(=O)C)C |
| InChI | InChI=1S/C26H36O9/c1-13(2)10-21(32-15(4)27)23(33-16(5)28)19-12-31-25(34-17(6)29)22-14(3)11-20(30)24-26(7,35-24)9-8-18(19)22/h10,12,18,20-25,30H,3,8-9,11H2,1-2,4-7H3/t18-,20-,21+,22+,23-,24+,25-,26+/m1/s1 |
| InChI Key | HVSHDPHIYMYJMM-BLQWUNODSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36O9 |
| Molecular Weight | 492.60 g/mol |
| Exact Mass | 492.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | 1.90 |
| CHEMBL1076496 |
| 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 | 98.00% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.89% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.01% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.05% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.73% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.06% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.71% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.37% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.98% | 93.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.77% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.58% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.30% | 89.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.72% | 97.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.16% | 97.28% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.73% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.26% | 85.00% |
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 | 44605890 |
| LOTUS | LTS0218539 |
| wikiData | Q105034408 |