Olympicin A
Internal ID | f4662c74-94ec-4370-b737-b11a18386f43 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
IUPAC Name | (2S)-1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-methylbutan-1-one |
SMILES (Canonical) | CCC(C)C(=O)C1=C(C=C(C=C1OCC=C(C)CCC=C(C)C)O)O |
SMILES (Isomeric) | CC[C@H](C)C(=O)C1=C(C=C(C=C1OC/C=C(\C)/CCC=C(C)C)O)O |
InChI | InChI=1S/C21H30O4/c1-6-16(5)21(24)20-18(23)12-17(22)13-19(20)25-11-10-15(4)9-7-8-14(2)3/h8,10,12-13,16,22-23H,6-7,9,11H2,1-5H3/b15-10+/t16-/m0/s1 |
InChI Key | UMIJNJJRYSRDPG-KMPOOHAWSA-N |
Popularity | 3 references in papers |
Molecular Formula | C21H30O4 |
Molecular Weight | 346.50 g/mol |
Exact Mass | 346.21440943 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 6.20 |
CHEMBL2023358 |
SCHEMBL13136826 |
BDBM50027673 |
(2S)-1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxy-phenyl]-2-methyl-butan-1-one |
(S,E)-1-(2-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-4,6-dihydroxyphenyl)-2-methylbutan-1-one |
1131366-95-4 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.73% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.66% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.18% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.92% | 94.73% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.17% | 97.21% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.69% | 94.45% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.33% | 90.00% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.31% | 96.95% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.82% | 92.08% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.95% | 82.50% |
CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 85.85% | 100.00% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.60% | 93.10% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.71% | 90.71% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.45% | 86.33% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.44% | 95.50% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.24% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.13% | 89.00% |
CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.82% | 97.23% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.26% | 94.75% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.24% | 99.15% |
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.
Hypericum olympicum |
PubChem | 57380109 |
LOTUS | LTS0000350 |
wikiData | Q105275571 |