(7S)-10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(13),3,5(9),10,14,16,20-heptaen-12-one
| Internal ID | 0a0bd9cd-d498-4cc1-9114-8f26d51f33bc |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (7S)-10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(13),3,5(9),10,14,16,20-heptaen-12-one |
| SMILES (Canonical) | CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)(C)C |
| SMILES (Isomeric) | C[C@H]1C(C2=C(O1)C=C3C(=C2O)C(=O)C4=C(O3)C(=C5C(=C4)C=CC(O5)(C)C)O)(C)C |
| InChI | InChI=1S/C23H22O6/c1-10-23(4,5)16-14(27-10)9-13-15(18(16)25)17(24)12-8-11-6-7-22(2,3)29-20(11)19(26)21(12)28-13/h6-10,25-26H,1-5H3/t10-/m0/s1 |
| InChI Key | YNHZDINWEJCMRF-JTQLQIEISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of (7S)-10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(13),3,5(9),10,14,16,20-heptaen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/4ef83590-8658-11ee-a178-c3811968541b.jpg "2D Structure of (7S)-10,21-dihydroxy-7,8,8,18,18-pentamethyl-2,6,19-trioxapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(13),3,5(9),10,14,16,20-heptaen-12-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2055 | P10276 | Retinoic acid receptor alpha |
170 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.62% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.92% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.32% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.27% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.71% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.87% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.46% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.43% | 98.95% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.42% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.02% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.73% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.03% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.58% | 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.
| Maclura cochinchinensis |
| Maclura tricuspidata |
| PubChem | 163046372 |
| LOTUS | LTS0161998 |
| wikiData | Q105350942 |