CID 4486828
Internal ID | 293671d1-985d-46c6-a765-d5a16b75f4da |
Taxonomy | Benzenoids > Phenols > Methoxyphenols |
IUPAC Name | 4-[[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]oxy]-2-methoxyphenol |
SMILES (Canonical) | COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
SMILES (Isomeric) | COC1=C(C=CC(=C1)OC2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5)O |
InChI | InChI=1S/C20H20O7/c1-22-17-7-12(3-4-15(17)21)27-20-14-9-23-19(13(14)8-24-20)11-2-5-16-18(6-11)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3 |
InChI Key | OJVGWDJIYBTWDS-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H20O7 |
Molecular Weight | 372.40 g/mol |
Exact Mass | 372.12090297 g/mol |
Topological Polar Surface Area (TPSA) | 75.60 Ų |
XlogP | 2.80 |
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 | 99.45% | 91.11% |
CHEMBL3438 | Q05513 | Protein kinase C zeta | 95.28% | 88.48% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.05% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.43% | 97.09% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.81% | 92.62% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.55% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.41% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.57% | 94.00% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.45% | 89.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.26% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.56% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 88.14% | 90.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.35% | 99.17% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.99% | 94.80% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.87% | 92.94% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.90% | 89.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.67% | 95.89% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.08% | 82.67% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.95% | 97.14% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.85% | 96.77% |
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 | 4486828 |
LOTUS | LTS0138026 |
wikiData | Q105193320 |