3,6-Dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2,4,9,12,15-hexaen-14-one
| Internal ID | 57280c13-91e9-4dd8-9d30-3551023a5211 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | 3,6-dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2,4,9,12,15-hexaen-14-one |
| SMILES (Canonical) | CC1C(OC2=C3C1=C(C(=O)C=C3OC4=C5C(=C(C(=C24)O)C)C(C(O5)C)(C)O)C)C |
| SMILES (Isomeric) | CC1C(OC2=C3C1=C(C(=O)C=C3OC4=C5C(=C(C(=C24)O)C)C(C(O5)C)(C)O)C)C |
| InChI | InChI=1S/C23H24O6/c1-8-11(4)27-20-16-14(7-13(24)9(2)15(8)16)29-21-17(20)19(25)10(3)18-22(21)28-12(5)23(18,6)26/h7-8,11-12,25-26H,1-6H3 |
| InChI Key | CRSYXEQNEAGMIY-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H24O6 |
| Molecular Weight | 396.40 g/mol |
| Exact Mass | 396.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 3,6-Dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2,4,9,12,15-hexaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/f1565d00-8652-11ee-8e4c-bf27159f8deb.jpg "2D Structure of 3,6-Dihydroxy-4,6,7,15,17,18-hexamethyl-8,11,19-trioxapentacyclo[10.7.1.02,10.05,9.016,20]icosa-1(20),2,4,9,12,15-hexaen-14-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 | 99.04% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.07% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.80% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.20% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.13% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.07% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.67% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.98% | 94.73% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 84.78% | 94.42% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.10% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.26% | 93.56% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 82.94% | 91.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.15% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.80% | 94.45% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.47% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.47% | 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.
| There are no matching plants. |
| PubChem | 74830707 |
| LOTUS | LTS0072977 |
| wikiData | Q103817984 |