7,7,20,20-Tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene
| Internal ID | 1454fc71-bf47-4c04-896d-17ed5ec6144f |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 7,7,20,20-tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene |
| SMILES (Canonical) | CC1(C=CC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC6=C5C=CC(O6)(C)C)C |
| SMILES (Isomeric) | CC1(C=CC2=CC3=C(C=C2O1)OCC4C3OC5=C4C=CC6=C5C=CC(O6)(C)C)C |
| InChI | InChI=1S/C25H24O4/c1-24(2)9-7-14-11-17-21(12-20(14)29-24)26-13-18-15-5-6-19-16(22(15)27-23(17)18)8-10-25(3,4)28-19/h5-12,18,23H,13H2,1-4H3 |
| InChI Key | HBPLJHDJTBJXTA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O4 |
| Molecular Weight | 388.50 g/mol |
| Exact Mass | 388.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 36.90 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 7,7,20,20-Tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene](https://plantaedb.com/storage/docs/compounds/2023/11/bcda0780-85dd-11ee-9694-99ccf2dedf79.jpg "2D Structure of 7,7,20,20-Tetramethyl-8,12,19,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-2(11),3,5,9,15(24),16,18(23),21-octaene")
| 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 | 96.06% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.50% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.41% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.76% | 94.80% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.63% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.50% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.43% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.41% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.06% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.79% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.65% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.57% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.85% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.04% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.01% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.80% | 95.93% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.65% | 93.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.63% | 93.40% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.62% | 93.31% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.96% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.06% | 90.00% |
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.
| Erythrina sigmoidea |
| Lespedeza cyrtobotrya |
| PubChem | 56681660 |
| LOTUS | LTS0136803 |
| wikiData | Q105025423 |