2-[4,5-Dihydroxy-2-[[6-hydroxy-7-(3-methylbut-2-enyl)-3-oxo-1-benzofuran-2-ylidene]methyl]phenyl]-6-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3-methylbut-2-enyl)-1-benzofuran-3-one
Internal ID | 2a30c672-5755-4e75-a191-f4ddfe923aff |
Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
IUPAC Name | 2-[4,5-dihydroxy-2-[[6-hydroxy-7-(3-methylbut-2-enyl)-3-oxo-1-benzofuran-2-ylidene]methyl]phenyl]-6-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3-methylbut-2-enyl)-1-benzofuran-3-one |
SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OC(C2=O)(C3=CC(=C(C=C3C=C4C(=O)C5=C(O4)C(=C(C=C5)O)CC=C(C)C)O)O)C(=O)C6=CC(=C(C=C6)O)CC=C(C)C)C |
SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OC(C2=O)(C3=CC(=C(C=C3C=C4C(=O)C5=C(O4)C(=C(C=C5)O)CC=C(C)C)O)O)C(=O)C6=CC(=C(C=C6)O)CC=C(C)C)C |
InChI | InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3 |
InChI Key | MEJLVLSNRYLDSG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C45H42O10 |
Molecular Weight | 742.80 g/mol |
Exact Mass | 742.27779753 g/mol |
Topological Polar Surface Area (TPSA) | 171.00 Ų |
XlogP | 10.20 |
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 | 99.78% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.29% | 83.82% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.27% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 95.77% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 95.32% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.54% | 95.56% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.31% | 93.40% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.63% | 90.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.60% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.89% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.16% | 94.80% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.46% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.97% | 100.00% |
CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.91% | 80.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.46% | 96.00% |
CHEMBL3194 | P02766 | Transthyretin | 81.76% | 90.71% |
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.
Glycyrrhiza glabra |
PubChem | 78385204 |
LOTUS | LTS0136934 |
wikiData | Q105162274 |