7,7,20,20-Tetramethyl-6,12,19,25-tetraoxahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-2(11),3,5(10),8,15(24),16,18(23)-heptaen-21-ol
| Internal ID | ff4428d9-7f30-443e-99ce-3625a4c65af8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans |
| IUPAC Name | 7,7,20,20-tetramethyl-6,12,19,25-tetraoxahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-2(11),3,5(10),8,15(24),16,18(23)-heptaen-21-ol |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC6=C5CC(C(O6)(C)C)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2OCC4C3OC5=C4C=CC6=C5CC(C(O6)(C)C)O)C |
| InChI | InChI=1S/C25H26O5/c1-24(2)10-9-14-18(29-24)8-6-15-21(14)27-12-17-13-5-7-19-16(22(13)28-23(15)17)11-20(26)25(3,4)30-19/h5-10,17,20,23,26H,11-12H2,1-4H3 |
| InChI Key | DQPCIMDIDNEPQW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O5 |
| Molecular Weight | 406.50 g/mol |
| Exact Mass | 406.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 7,7,20,20-Tetramethyl-6,12,19,25-tetraoxahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-2(11),3,5(10),8,15(24),16,18(23)-heptaen-21-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2f8f5510-85b1-11ee-be40-3bce6544bd78.jpg "2D Structure of 7,7,20,20-Tetramethyl-6,12,19,25-tetraoxahexacyclo[12.11.0.02,11.05,10.015,24.018,23]pentacosa-2(11),3,5(10),8,15(24),16,18(23)-heptaen-21-ol")
| 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 | 97.49% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.24% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.25% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.52% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.18% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.75% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.64% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.61% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.99% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.72% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.58% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.20% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.38% | 86.33% |
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 lysistemon |
| PubChem | 75080360 |
| LOTUS | LTS0272227 |
| wikiData | Q104987072 |