5-(5-Methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole
Internal ID | 2628d813-3370-4e20-be6c-ca87481d2b75 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 5-(5-methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole |
SMILES (Canonical) | CC1C(OC2=CC(=C(C=C12)OC)OCC=C)C3=CC4=C(C=C3)OCO4 |
SMILES (Isomeric) | CC1C(OC2=CC(=C(C=C12)OC)OCC=C)C3=CC4=C(C=C3)OCO4 |
InChI | InChI=1S/C20H20O5/c1-4-7-22-19-10-16-14(9-17(19)21-3)12(2)20(25-16)13-5-6-15-18(8-13)24-11-23-15/h4-6,8-10,12,20H,1,7,11H2,2-3H3 |
InChI Key | KBAIKNVJCMHWGU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H20O5 |
Molecular Weight | 340.40 g/mol |
Exact Mass | 340.13107373 g/mol |
Topological Polar Surface Area (TPSA) | 46.20 Ų |
XlogP | 4.20 |
There are no found synonyms. |
![2D Structure of 5-(5-Methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole 2D Structure of 5-(5-Methoxy-3-methyl-6-prop-2-enoxy-2,3-dihydro-1-benzofuran-2-yl)-1,3-benzodioxole](https://plantaedb.com/storage/docs/compounds/2023/11/5-5-methoxy-3-methyl-6-prop-2-enoxy-23-dihydro-1-benzofuran-2-yl-13-benzodioxole.jpg)
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 |
---|---|---|---|---|
CHEMBL240 | Q12809 | HERG | 99.91% | 89.76% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.12% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.69% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.72% | 94.80% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.23% | 97.09% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.12% | 89.62% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.63% | 92.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.44% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.04% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.70% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.79% | 89.00% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.46% | 96.77% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.27% | 82.67% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.13% | 85.14% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.00% | 96.00% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 82.86% | 89.44% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.62% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.31% | 95.89% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.70% | 93.99% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.21% | 94.03% |
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.
Aniba terminalis |
PubChem | 14888953 |
LOTUS | LTS0117969 |
wikiData | Q104170090 |