8-Hydroxy-3,9-dimethoxypterocarpan
| Internal ID | 722398c8-a4f2-476a-add3-9dbf370b713e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OC)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OC)O |
| InChI | InChI=1S/C17H16O5/c1-19-9-3-4-10-14(5-9)21-8-12-11-6-13(18)16(20-2)7-15(11)22-17(10)12/h3-7,12,17-18H,8H2,1-2H3 |
| InChI Key | KIKDCPYSYOMXEJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H16O5 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.09977361 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.60 |
| (6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpan |
| ghl.PD_Mitscher_leg0.588 |
| CHEMBL283139 |
| CHEBI:174863 |
| LMPK12070057 |
| (6aR, 11aR)-3-Hydroxy-8,9-dimethoxypterocarpan |
| 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-8-ol |
| 3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-8-ol |
| 3,9-Dimethoxy-8-hydroxy-6a,-cis11a-dihydro-6H-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.63% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.33% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.30% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.83% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.55% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.68% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.07% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.63% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.06% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.18% | 90.00% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 84.74% | 95.55% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.70% | 93.31% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.77% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.08% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.74% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.50% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.25% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.47% | 92.94% |
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.
| Pterocarpus macrocarpus |
| PubChem | 454891 |
| LOTUS | LTS0174334 |
| wikiData | Q105141557 |