Calopogoniumisoflavone A
| Internal ID | 7d37e886-483f-480d-8728-dba840e95407 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 3-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-f]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OC=C(C3=O)C4=CC=C(C=C4)OC)C |
| InChI | InChI=1S/C21H18O4/c1-21(2)11-10-15-18(25-21)9-8-16-19(22)17(12-24-20(15)16)13-4-6-14(23-3)7-5-13/h4-12H,1-3H3 |
| InChI Key | QLPJSBWLIFSIMS-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H18O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 4.10 |
| C21H18O4 |
| NSC604844 |
| MEGxp0_001808 |
| CHEMBL3311041 |
| CHEBI:185774 |
| LMPK12050035 |
| NSC-604844 |
| 3-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-]chromen-4-one |
| 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 | 97.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.31% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 94.79% | 93.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.65% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.12% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.84% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 86.82% | 95.53% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 86.70% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.66% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.23% | 86.92% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.52% | 90.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.23% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.13% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.10% | 97.14% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 84.49% | 81.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.93% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.01% | 90.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.01% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.69% | 92.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.94% | 94.75% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.26% | 87.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.05% | 96.67% |
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.
| Millettia dura |
| Millettia ferruginea |
| PubChem | 354119 |
| LOTUS | LTS0048690 |
| wikiData | Q105223709 |