10,23-Dihydroxy-6,6,20,20-tetramethyl-11-(3-methylbut-2-enyl)-5,13,15,21-tetraoxahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),3,9,11,16,22,24-heptaen-2-one
| Internal ID | 0ae5ab06-01aa-4a84-9cea-f939d456682d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 10,23-dihydroxy-6,6,20,20-tetramethyl-11-(3-methylbut-2-enyl)-5,13,15,21-tetraoxahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),3,9,11,16,22,24-heptaen-2-one |
| SMILES (Canonical) | CC(=CCC1=C2C(=C3C(=C1O)CCC(O3)(C)C)C(=O)C4=C(O2)OC5=C6CCC(OC6=C(C=C45)O)(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=C3C(=C1O)CCC(O3)(C)C)C(=O)C4=C(O2)OC5=C6CCC(OC6=C(C=C45)O)(C)C)C |
| InChI | InChI=1S/C30H32O7/c1-14(2)7-8-15-22(32)16-9-11-30(5,6)37-27(16)21-23(33)20-18-13-19(31)25-17(10-12-29(3,4)36-25)24(18)34-28(20)35-26(15)21/h7,13,31-32H,8-12H2,1-6H3 |
| InChI Key | MTSZSTIZEBFMKJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H32O7 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of 10,23-Dihydroxy-6,6,20,20-tetramethyl-11-(3-methylbut-2-enyl)-5,13,15,21-tetraoxahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),3,9,11,16,22,24-heptaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/f96f71c0-8191-11ee-835f-3355f457190b.jpg "2D Structure of 10,23-Dihydroxy-6,6,20,20-tetramethyl-11-(3-methylbut-2-enyl)-5,13,15,21-tetraoxahexacyclo[12.11.0.03,12.04,9.016,25.017,22]pentacosa-1(14),3,9,11,16,22,24-heptaen-2-one")
| 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 | 99.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.31% | 94.45% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 95.20% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.17% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.76% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.87% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.72% | 93.99% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.54% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.21% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.68% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.57% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.54% | 98.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.06% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.22% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.95% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.55% | 95.89% |
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 |
| PubChem | 162821295 |
| LOTUS | LTS0141503 |
| wikiData | Q105171867 |