Mirandin B
| Internal ID | b41df8c6-39fa-446a-b40e-ecbeb8066766 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 3a-methoxy-3-methyl-5-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-one |
| SMILES (Canonical) | CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C(=C3)OC)OC)OC |
| SMILES (Isomeric) | CC1C(OC2=CC(=O)C(=CC12OC)CC=C)C3=CC(=C(C(=C3)OC)OC)OC |
| InChI | InChI=1S/C22H26O6/c1-7-8-14-12-22(27-6)13(2)20(28-19(22)11-16(14)23)15-9-17(24-3)21(26-5)18(10-15)25-4/h7,9-13,20H,1,8H2,2-6H3 |
| InChI Key | MRRHZTMSIVTFSK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.10 |
| 62163-24-0 |
| MRRHZTMSIVTFSK-UHFFFAOYSA-N |
| 5-Allyl-3a-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-3,3a-dihydro-1-benzofuran-6(2H)-one # |
| 6(2H)-Benzofuranone, 3,3a-dihydro-3a-methoxy-3-methyl-5-(2-propenyl)-2-(3,4,5-trimethoxyphenyl)-, [2S-(2.alpha.,3.alpha.,3a.alpha.)]- |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.10% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.16% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.71% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.21% | 95.56% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.59% | 92.98% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.27% | 91.07% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.90% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.64% | 97.14% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.94% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.70% | 99.17% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 81.42% | 94.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.14% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.59% | 96.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.52% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.06% | 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.
| Magnolia denudata |
| Rhodostemonodaphne miranda |
| PubChem | 610509 |
| LOTUS | LTS0221671 |
| wikiData | Q104172010 |