Justicidin F
| Internal ID | 1346545a-97f6-4e65-87bd-e138f285205c |
| Taxonomy | Lignans, neolignans and related compounds > Arylnaphthalene lignans |
| IUPAC Name | 9-(1,3-benzodioxol-5-yl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| SMILES (Canonical) | COC1=C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6 |
| SMILES (Isomeric) | COC1=C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6 |
| InChI | InChI=1S/C21H14O7/c1-23-20-12-6-17-16(27-9-28-17)5-11(12)18(19-13(20)7-24-21(19)22)10-2-3-14-15(4-10)26-8-25-14/h2-6H,7-9H2,1H3 |
| InChI Key | BBROIWXMVHRRMJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H14O7 |
| Molecular Weight | 378.30 g/mol |
| Exact Mass | 378.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 72.40 Ų |
| XlogP | 3.80 |
| Taiwanin E methyl ether |
| 30403-00-0 |
| UNII-T2Y57C9S7P |
| T2Y57C9S7P |
| TAIWAN E METHYL ETHER(RG) |
| Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 5-(1,3-benzodioxol-5-yl)-9-methoxy- |
| Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(8H)-one, 9-methoxy-5-(3,4-(methylenedioxy)phenyl)- |
| 9-(1,3-benzodioxol-5-yl)-5-methoxy-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| CHEMBL495475 |
| SCHEMBL11954034 |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.25% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.20% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.29% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.25% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.75% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.52% | 80.96% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.30% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.50% | 92.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.62% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.84% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.69% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.58% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.12% | 94.00% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 85.28% | 85.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.61% | 95.53% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.28% | 96.09% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 82.23% | 93.24% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.94% | 98.21% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.64% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.59% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 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.
| Justicia procumbens |
| Monechma ciliatum |
| PubChem | 11740369 |
| NPASS | NPC19600 |
| ChEMBL | CHEMBL495475 |
| LOTUS | LTS0077802 |
| wikiData | Q27289591 |