9-(5-Hydroxy-3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
Internal ID | d4c1f822-9dbb-4456-b36c-9aef32c01536 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
IUPAC Name | 9-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one |
SMILES (Canonical) | CC(=CC(CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O)C |
SMILES (Isomeric) | CC(=CC(CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O)C |
InChI | InChI=1S/C21H22O5/c1-13(2)10-17(22)11-14(3)6-8-25-21-19-16(7-9-24-19)12-15-4-5-18(23)26-20(15)21/h4-7,9-10,12,17,22H,8,11H2,1-3H3 |
InChI Key | KIBSPHPOWGOQIS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C21H22O5 |
Molecular Weight | 354.40 g/mol |
Exact Mass | 354.14672380 g/mol |
Topological Polar Surface Area (TPSA) | 68.90 Ų |
XlogP | 4.20 |
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 | 97.75% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.03% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.59% | 94.73% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.17% | 97.21% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.41% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.35% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.81% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.68% | 89.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.00% | 90.71% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.67% | 94.75% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.66% | 99.23% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.93% | 90.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.64% | 85.14% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.54% | 96.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.35% | 94.45% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.88% | 99.15% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.07% | 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.
Clausena lansium |
PubChem | 75169056 |
LOTUS | LTS0140747 |
wikiData | Q105141429 |