4-[6-(6-Hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol
Internal ID | 06e3bb1e-4118-4156-8d85-f6bac8cbbb6d |
Taxonomy | Lignans, neolignans and related compounds > Furanoid lignans |
IUPAC Name | 4-[6-(6-hydroxy-1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]benzene-1,2-diol |
SMILES (Canonical) | C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC(=C(C=C5)O)O |
SMILES (Isomeric) | C1C2C(COC2C3=CC4=C(C=C3O)OCO4)C(O1)C5=CC(=C(C=C5)O)O |
InChI | InChI=1S/C19H18O7/c20-13-2-1-9(3-15(13)22)18-11-6-24-19(12(11)7-23-18)10-4-16-17(5-14(10)21)26-8-25-16/h1-5,11-12,18-22H,6-8H2 |
InChI Key | JSXOGYPFEHLUDZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H18O7 |
Molecular Weight | 358.30 g/mol |
Exact Mass | 358.10525291 g/mol |
Topological Polar Surface Area (TPSA) | 97.60 Ų |
XlogP | 1.80 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.89% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.93% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.01% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.95% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.63% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.67% | 93.40% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.28% | 92.62% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.04% | 96.09% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.01% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 84.36% | 98.95% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.77% | 100.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.65% | 94.45% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.36% | 100.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.24% | 89.62% |
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.
Sesamum indicum |
PubChem | 72762138 |
LOTUS | LTS0270387 |
wikiData | Q105134636 |