Avicequinone A
Internal ID | e15d9264-1fc9-4aa5-a221-fd3d89448363 |
Taxonomy | Organoheterocyclic compounds > Naphthofurans |
IUPAC Name | (2S,3S)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione |
SMILES (Canonical) | CC(C)(C1C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)O |
SMILES (Isomeric) | CC(C)([C@@H]1[C@H](C2=C(O1)C(=O)C3=CC=CC=C3C2=O)O)O |
InChI | InChI=1S/C15H14O5/c1-15(2,19)14-12(18)9-10(16)7-5-3-4-6-8(7)11(17)13(9)20-14/h3-6,12,14,18-19H,1-2H3/t12-,14-/m0/s1 |
InChI Key | AAULQOBOWPLXLU-JSGCOSHPSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C15H14O5 |
Molecular Weight | 274.27 g/mol |
Exact Mass | 274.08412354 g/mol |
Topological Polar Surface Area (TPSA) | 83.80 Ų |
XlogP | 1.10 |
CHEMBL375700 |
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 |
---|---|---|---|---|
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.95% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.15% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.71% | 94.73% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.31% | 99.23% |
CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.34% | 93.65% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.34% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.64% | 89.00% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.24% | 85.94% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.31% | 93.56% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.94% | 100.00% |
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.
Avicennia marina |
Avicennia marina subsp. marina |
PubChem | 16757531 |
LOTUS | LTS0144338 |
wikiData | Q104908360 |