[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] pentanoate
Internal ID | 59f36cc4-ed98-40da-b26f-505c97fdce6d |
Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
IUPAC Name | [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] pentanoate |
SMILES (Canonical) | CCCCC(=O)OC(CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
SMILES (Isomeric) | CCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
InChI | InChI=1S/C21H24O6/c1-4-5-6-18(25)27-17(10-7-12(2)3)13-11-16(24)19-14(22)8-9-15(23)20(19)21(13)26/h7-9,11,17,22-23H,4-6,10H2,1-3H3/t17-/m1/s1 |
InChI Key | WSSQXKWKYRUWBU-QGZVFWFLSA-N |
Popularity | 2 references in papers |
Molecular Formula | C21H24O6 |
Molecular Weight | 372.40 g/mol |
Exact Mass | 372.15728848 g/mol |
Topological Polar Surface Area (TPSA) | 101.00 Ų |
XlogP | 4.90 |
There are no found synonyms. |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.94% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.20% | 94.45% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.95% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.54% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.43% | 94.73% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.95% | 97.21% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.88% | 90.71% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.47% | 89.00% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.44% | 93.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.32% | 86.33% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.24% | 85.94% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.91% | 82.69% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.65% | 99.23% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.66% | 96.09% |
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.
Lithospermum erythrorhizon |
PubChem | 10451907 |
LOTUS | LTS0201469 |
wikiData | Q105312072 |