Pterocarpin
| Internal ID | 408b4cf6-8a8b-4ecf-895c-ef975288b841 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5 |
| InChI | InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3 |
| InChI Key | YLZYAUCOYZKLMA-UHFFFAOYSA-N |
| Popularity | 58 references in papers |
| Molecular Formula | C17H14O5 |
| Molecular Weight | 298.29 g/mol |
| Exact Mass | 298.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 2.80 |
| 3-Methoxy-8,9-methylenedioxypterocarpan |
| NSC649972 |
| ghl.PD_Mitscher_leg0.654 |
| CHEMBL21103 |
| SCHEMBL1248057 |
| LMPK12070053 |
| AKOS000276799 |
| Q7256728 |
| (Cis 6a-11a)3-Methoxy-6a,12a-dihydro-6H-[1,3]-dioxolo[5,6]benzofuro[3,2-c][1]benzopyran |
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.60% | 92.51% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.80% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.34% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.57% | 96.77% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.90% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.40% | 92.62% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 90.99% | 95.55% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.89% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 90.35% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.20% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.06% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.60% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.22% | 94.45% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 85.11% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.97% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.42% | 98.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.31% | 93.31% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.23% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.49% | 95.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.63% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.31% | 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.
| Euchresta formosana |
| Genista pichisermolliana |
| Lathyrus odoratus |
| Maackia tenuifolia |
| Millettia pulchra |
| Ononis viscosa |
| Pterocarpus macrocarpus |
| Sophora flavescens |
| Tephrosia maxima |
| PubChem | 454895 |
| LOTUS | LTS0260365 |
| wikiData | Q7256728 |