Leiocinol
| Internal ID | 80c59b54-d281-4da1-941e-6fab952604f9 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-(6-hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-6-ol |
| SMILES (Canonical) | CC1(C=CC2=C3C(=CC(=C2O1)O)CC(CO3)C4=CC5=C(C=C4O)OCO5)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=CC(=C2O1)O)CC(CO3)C4=CC5=C(C=C4O)OCO5)C |
| InChI | InChI=1S/C21H20O6/c1-21(2)4-3-13-19-11(6-16(23)20(13)27-21)5-12(9-24-19)14-7-17-18(8-15(14)22)26-10-25-17/h3-4,6-8,12,22-23H,5,9-10H2,1-2H3 |
| InChI Key | HBYGTSDXCJSMRY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 3.70 |
| CHEMBL518842 |
| LMPK12080037 |
| 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 | 99.18% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.63% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.27% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.43% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.18% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.97% | 93.40% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.86% | 99.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.13% | 91.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.46% | 80.96% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.92% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.30% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.40% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.08% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.04% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.19% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.15% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.93% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.53% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.46% | 95.56% |
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.
| Berchemia discolor |
| Dalbergia nitidula |
| PubChem | 596540 |
| LOTUS | LTS0269926 |
| wikiData | Q104399159 |