3,3,5,5,11,16-Hexamethyl-4,13-dioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,10,12(20),18-tetraene-9,16,17-triol
| Internal ID | aa3c5d79-5719-466d-80a7-a7dc1b9249eb |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | 3,3,5,5,11,16-hexamethyl-4,13-dioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,10,12(20),18-tetraene-9,16,17-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O5/c1-11-7-15(25)12-8-14-20(23(4,5)29-22(14,2)3)18-13-9-17(26)24(6,27)10-16(13)28-21(11)19(12)18/h7,9,14,16-18,20,25-27H,8,10H2,1-6H3 |
| InChI Key | QLWDGESGLCXAHC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O5 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3,3,5,5,11,16-Hexamethyl-4,13-dioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,10,12(20),18-tetraene-9,16,17-triol](https://plantaedb.com/storage/docs/compounds/2023/11/946806f0-86a6-11ee-9686-c5eb8bbaadb9.jpg "2D Structure of 3,3,5,5,11,16-Hexamethyl-4,13-dioxapentacyclo[10.7.1.02,6.08,20.014,19]icosa-8,10,12(20),18-tetraene-9,16,17-triol")
| 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 | 97.94% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.84% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.75% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.62% | 83.82% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.29% | 91.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.93% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.31% | 89.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.51% | 95.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.65% | 100.00% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 84.65% | 95.70% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.97% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.70% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.51% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.05% | 86.33% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 80.58% | 93.18% |
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 | 139583543 |
| LOTUS | LTS0080958 |
| wikiData | Q75063752 |