Aniduquinolone A
Internal ID | e474beb8-3e94-4b6a-91cf-1c3fe5affff2 |
Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines |
IUPAC Name | (3S,4S)-4,5-dihydroxy-3-methoxy-6-[(E)-2-[(2R,5R)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one |
SMILES (Canonical) | CC(=C)C1CCC(O1)(C)C=CC2=C(C3=C(C=C2)NC(=O)C(C3(C4=CC=CC=C4)O)OC)O |
SMILES (Isomeric) | CC(=C)[C@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)O)OC)O |
InChI | InChI=1S/C26H29NO5/c1-16(2)20-13-15-25(3,32-20)14-12-17-10-11-19-21(22(17)28)26(30,18-8-6-5-7-9-18)23(31-4)24(29)27-19/h5-12,14,20,23,28,30H,1,13,15H2,2-4H3,(H,27,29)/b14-12+/t20-,23-,25+,26+/m1/s1 |
InChI Key | MXZQODLZZPOLIG-PECOPZJOSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C26H29NO5 |
Molecular Weight | 435.50 g/mol |
Exact Mass | 435.20457303 g/mol |
Topological Polar Surface Area (TPSA) | 88.00 Ų |
XlogP | 3.40 |
CHEMBL2431780 |

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 | 99.75% | 91.11% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 97.99% | 94.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.60% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.11% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.99% | 96.09% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.28% | 94.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.10% | 95.56% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 93.23% | 94.08% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.97% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.58% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 90.99% | 98.95% |
CHEMBL233 | P35372 | Mu opioid receptor | 88.37% | 97.93% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.19% | 100.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.36% | 92.88% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.12% | 89.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.75% | 99.23% |
CHEMBL5028 | O14672 | ADAM10 | 82.39% | 97.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.02% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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There are no matching plants. |
PubChem | 72703460 |
LOTUS | LTS0105302 |
wikiData | Q77497462 |