Morusin
| Internal ID | 10e440cc-99e4-4f4c-a4af-83c2faa2dcb5 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavones > 3-prenylated flavones |
| IUPAC Name | 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(OC2=C(C1=O)C(=CC3=C2C=CC(O3)(C)C)O)C4=C(C=C(C=C4)O)O)C |
| InChI | InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3 |
| InChI Key | XFFOMNJIDRDDLQ-UHFFFAOYSA-N |
| Popularity | 94 references in papers |
| Molecular Formula | C25H24O6 |
| Molecular Weight | 420.50 g/mol |
| Exact Mass | 420.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.50 |
| 62596-29-6 |
| Mulberrochromene |
| TCMDC-124149 |
| 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one |
| NSC649220 |
| T4VGD5NP9B |
| CHEBI:7005 |
| CHEMBL464006 |
| NSC 649220 |
| NSC-649220 |
| 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 |
|---|---|---|---|---|---|
| CHEMBL220 | P22303 | Acetylcholinesterase |
3100 nM |
Ki |
DOI: 10.1007/s00044-012-0353-y
|
| CHEMBL1914 | P06276 | Butyrylcholinesterase |
1700 nM |
IC50 |
DOI: 10.1007/s00044-012-0353-y
|
| CHEMBL288 | Q08499 | Phosphodiesterase 4D |
900 nM |
IC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.75% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.31% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.90% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.70% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.58% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.87% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.14% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 88.46% | 91.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.85% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.97% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.68% | 93.10% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.76% | 94.75% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 83.32% | 85.30% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.54% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 82.54% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.32% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.96% | 99.15% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.57% | 98.35% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.08% | 94.00% |
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.
| PubChem | 5281671 |
| NPASS | NPC62840 |
| ChEMBL | CHEMBL464006 |
| LOTUS | LTS0062558 |
| wikiData | Q27107393 |