12,17,18-Trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone
| Internal ID | d29690db-d4ec-4c32-9090-27f7c0226469 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | 12,17,18-trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone |
| SMILES (Canonical) | CC1C2C(=O)C3=C(C(=C(OC3=O)C)C)OC2(C(C4(C1(CC(=O)C(C4=O)(C)C)O)O)O)C |
| SMILES (Isomeric) | CC1C2C(=O)C3=C(C(=C(OC3=O)C)C)OC2(C(C4(C1(CC(=O)C(C4=O)(C)C)O)O)O)C |
| InChI | InChI=1S/C22H26O9/c1-8-10(3)30-16(25)12-14(24)13-9(2)21(28)7-11(23)19(4,5)17(26)22(21,29)18(27)20(13,6)31-15(8)12/h9,13,18,27-29H,7H2,1-6H3 |
| InChI Key | YOSOWEHAEZDGPS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O9 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 12,17,18-Trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/9c750dc0-8507-11ee-a2a1-7be58b823fc3.jpg "2D Structure of 12,17,18-Trihydroxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,9,14,16-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.61% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.92% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.10% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.17% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.00% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.41% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.41% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 83.01% | 96.39% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.81% | 94.00% |
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 | 162907885 |
| LOTUS | LTS0114005 |
| wikiData | Q104201921 |