Arteminolide A
Internal ID | 5b17c604-a162-41a4-aeab-70f327967244 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids |
IUPAC Name | [(1'R,2'R,3S,3aR,4S,5'S,9'S,9aS,9bR,10'S,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] 3-methylbutanoate |
SMILES (Canonical) | CC1=C2C(C3C(C(C1)OC(=O)CC(C)C)C4(CC56C=CC4(C5C7C(CCC6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C |
SMILES (Isomeric) | CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)OC(=O)CC(C)C)[C@]4(C[C@@]56C=C[C@]4([C@@H]5[C@@H]7[C@@H](CC[C@@]6(C)O)C(=C)C(=O)O7)C)C(=O)O3)C(=CC2=O)C |
InChI | InChI=1S/C35H42O8/c1-16(2)12-23(37)41-22-14-18(4)24-21(36)13-17(3)25(24)28-26(22)35(31(39)43-28)15-34-11-10-32(35,6)29(34)27-20(8-9-33(34,7)40)19(5)30(38)42-27/h10-11,13,16,20,22,25-29,40H,5,8-9,12,14-15H2,1-4,6-7H3/t20-,22-,25-,26+,27-,28+,29-,32-,33+,34-,35+/m0/s1 |
InChI Key | RAKYLPJLLBOHHN-PAIAVIFNSA-N |
Popularity | 2 references in papers |
Molecular Formula | C35H42O8 |
Molecular Weight | 590.70 g/mol |
Exact Mass | 590.28796829 g/mol |
Topological Polar Surface Area (TPSA) | 116.00 Ų |
XlogP | 3.90 |
[(1'R,2'R,3S,3Ar,4S,5'S,9'S,9aS,9bR,10'S,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] 3-methylbutanoate |
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 |
---|---|---|---|---|
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.07% | 94.45% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.01% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.92% | 91.11% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 94.45% | 97.79% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.78% | 97.25% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.33% | 90.17% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.79% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.39% | 97.09% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.46% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.74% | 95.89% |
CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.83% | 90.93% |
CHEMBL5028 | O14672 | ADAM10 | 85.41% | 97.50% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.95% | 96.47% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.67% | 95.56% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.59% | 95.71% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.35% | 91.07% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.27% | 97.14% |
CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.51% | 88.81% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.20% | 95.89% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.66% | 95.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.46% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.18% | 94.00% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.09% | 97.28% |
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.
Artemisia argyi |
PubChem | 15968984 |
LOTUS | LTS0188423 |
wikiData | Q104399551 |