(2R,10R)-6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaene
| Internal ID | bc315477-4361-4ac0-8a7b-cf8ca758f00a |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | (2R,10R)-6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H24O5/c1-22(2)8-7-14-17(27-22)10-18-19(20(14)24-4)21-15(11-25-18)13-6-5-12(23-3)9-16(13)26-21/h5-6,9-10,15,21H,7-8,11H2,1-4H3/t15-,21+/m0/s1 |
| InChI Key | QWZQKTKRYJMEKY-YCRPNKLZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H24O5 |
| Molecular Weight | 368.40 g/mol |
| Exact Mass | 368.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 46.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (2R,10R)-6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/db0ec7c0-86ae-11ee-9b7a-730f609f8686.jpg "2D Structure of (2R,10R)-6,21-dimethoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4(9),5,7,14,20-hexaene")
| 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 | 98.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.56% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 96.51% | 89.76% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.39% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.51% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.43% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.63% | 95.56% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.19% | 92.51% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.07% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.03% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.57% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.02% | 97.14% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.12% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.11% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.94% | 97.25% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 85.76% | 91.96% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 85.55% | 95.55% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.92% | 96.77% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.69% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.44% | 94.00% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 83.43% | 89.44% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.06% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.27% | 95.89% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.18% | 96.09% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.05% | 94.03% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.36% | 94.80% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.84% | 91.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.84% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.58% | 100.00% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.53% | 93.81% |
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.
| There are no matching plants. |
| PubChem | 101324889 |
| LOTUS | LTS0091987 |
| wikiData | Q105229480 |