3-[2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Internal ID | ae9399b3-ba38-423c-b31c-5883d7ac885d |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCOC(=O)C=CC4=CC(=C(C=C4)O)OC |
SMILES (Isomeric) | COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCOC(=O)C=CC4=CC(=C(C=C4)O)OC |
InChI | InChI=1S/C30H32O9/c1-35-25-14-18(6-9-23(25)32)7-11-28(34)38-12-4-5-19-13-21-22(17-31)29(39-30(21)27(15-19)37-3)20-8-10-24(33)26(16-20)36-2/h6-11,13-16,22,29,31-33H,4-5,12,17H2,1-3H3 |
InChI Key | KOBORJOWBMUJED-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C30H32O9 |
Molecular Weight | 536.60 g/mol |
Exact Mass | 536.20463259 g/mol |
Topological Polar Surface Area (TPSA) | 124.00 Ų |
XlogP | 4.40 |
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 | 98.71% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.04% | 91.11% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.89% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.79% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 94.03% | 90.71% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.76% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.91% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.44% | 85.14% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.20% | 89.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.85% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.95% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 87.91% | 98.95% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.27% | 97.09% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 86.06% | 80.78% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 83.20% | 91.49% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.87% | 92.62% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.62% | 94.73% |
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.
Hibiscus cannabinus |
PubChem | 162883416 |
LOTUS | LTS0167259 |
wikiData | Q105143739 |