Irisolone methyl ether
Internal ID | d64be076-45fc-4e83-ad1f-ebdad61af7d9 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones |
IUPAC Name | 9-methoxy-7-(4-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
SMILES (Isomeric) | COC1=CC=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
InChI | InChI=1S/C18H14O6/c1-20-11-5-3-10(4-6-11)12-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(12)19/h3-8H,9H2,1-2H3 |
InChI Key | LCIXCHCKTZRXMH-UHFFFAOYSA-N |
Popularity | 2 references in papers |
Molecular Formula | C18H14O6 |
Molecular Weight | 326.30 g/mol |
Exact Mass | 326.07903816 g/mol |
Topological Polar Surface Area (TPSA) | 63.20 Ų |
XlogP | 2.90 |
Irisolone methyl ether [MI] |
UNII-4VAH9NFN2Q |
4VAH9NFN2Q |
4',5-dimethoxy-6,7-methylenedioxyisoflavone |
8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 9-methoxy-7-(4-methoxyphenyl)- |
3405-76-3 |
5,4'-Dimethoxy-6,7-methylenedioxyisoflavone |
CHEMBL5202649 |
CHEBI:196330 |
LMPK12050390 |
There are more than 10 synonyms. If you wish to see them all click here. |
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 |
---|---|---|---|---|
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.87% | 96.77% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.75% | 94.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.55% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 94.01% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.81% | 86.33% |
CHEMBL1907 | P15144 | Aminopeptidase N | 90.30% | 93.31% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.06% | 80.96% |
CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.52% | 92.98% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.95% | 82.67% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.79% | 92.62% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.47% | 99.15% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.29% | 95.53% |
CHEMBL4208 | P20618 | Proteasome component C5 | 87.27% | 90.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.06% | 94.80% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.93% | 94.45% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.57% | 93.99% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.55% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.80% | 96.09% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.79% | 96.09% |
CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.12% | 85.00% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.63% | 97.14% |
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.
Ateleia herbert-smithii |
Iris japonica |
Iris kashmiriana |
Iris tingitana |
Ochna afzelii |
PubChem | 14539329 |
LOTUS | LTS0161902 |
wikiData | Q27260560 |