2,4,6,9-Tetrahydroxy-2-[11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-5,7-dimethylphenalene-1,3-dione
| Internal ID | 90a0219a-9729-4cfd-ac66-d7d9572f6945 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2,4,6,9-tetrahydroxy-2-[11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-5,7-dimethylphenalene-1,3-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H44O7/c1-20(2)10-7-14-25(19-36)15-9-13-21(3)11-8-12-22(4)16-17-35(42)33(40)28-26(37)18-23(5)27-29(28)30(34(35)41)32(39)24(6)31(27)38/h10-11,15-16,18,36-39,42H,7-9,12-14,17,19H2,1-6H3 |
| InChI Key | CSQKRBFZSGLNBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H44O7 |
| Molecular Weight | 576.70 g/mol |
| Exact Mass | 576.30870374 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 8.90 |
| There are no found synonyms. |
![2D Structure of 2,4,6,9-Tetrahydroxy-2-[11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-5,7-dimethylphenalene-1,3-dione](https://plantaedb.com/storage/docs/compounds/2023/11/2e62ee40-878a-11ee-a9cb-bf5e723e0636.jpg "2D Structure of 2,4,6,9-Tetrahydroxy-2-[11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10,14-tetraenyl]-5,7-dimethylphenalene-1,3-dione")
| 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 | 99.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.94% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.12% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.95% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.01% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.75% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.07% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.15% | 86.33% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.07% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.92% | 96.90% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.54% | 93.10% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.47% | 99.15% |
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.
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| There are no matching plants. |
| PubChem | 162815790 |
| LOTUS | LTS0100897 |
| wikiData | Q103817997 |