2-(1,3-Benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
Internal ID | 31dacb36-2c6e-4e2b-9283-b3bf4bb2e027 |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 2-(1,3-benzodioxol-5-yl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid |
SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2CO)C3=CC4=C(C=C3)OCO4)C(=O)O |
SMILES (Isomeric) | COC1=CC(=CC2=C1OC(C2CO)C3=CC4=C(C=C3)OCO4)C(=O)O |
InChI | InChI=1S/C18H16O7/c1-22-15-6-10(18(20)21)4-11-12(7-19)16(25-17(11)15)9-2-3-13-14(5-9)24-8-23-13/h2-6,12,16,19H,7-8H2,1H3,(H,20,21) |
InChI Key | SAJPCASFYGEQIF-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H16O7 |
Molecular Weight | 344.30 g/mol |
Exact Mass | 344.08960285 g/mol |
Topological Polar Surface Area (TPSA) | 94.40 Ų |
XlogP | 1.90 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.93% | 86.33% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.41% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.95% | 95.56% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.83% | 99.17% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.24% | 92.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.68% | 97.09% |
CHEMBL2535 | P11166 | Glucose transporter | 84.38% | 98.75% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.34% | 96.00% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.95% | 89.44% |
CHEMBL5028 | O14672 | ADAM10 | 81.34% | 97.50% |
CHEMBL2581 | P07339 | Cathepsin D | 80.44% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.18% | 90.00% |
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.
Toona sinensis |
PubChem | 75104367 |
LOTUS | LTS0246296 |
wikiData | Q105248916 |