(4aS,9S,9aS)-8,9-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9a-tetrahydrofluorene-9-carbaldehyde
| Internal ID | 9304ea32-16c5-4ba9-9e55-8129980b91bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4aS,9S,9aS)-8,9-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9a-tetrahydrofluorene-9-carbaldehyde |
| SMILES (Canonical) | CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3C2(C=O)O)(C)C)C)O |
| SMILES (Isomeric) | CC(C)C1=C(C2=C(C(=O)C1=O)[C@]3(CCCC([C@@H]3[C@]2(C=O)O)(C)C)C)O |
| InChI | InChI=1S/C20H26O5/c1-10(2)11-14(22)13-12(16(24)15(11)23)19(5)8-6-7-18(3,4)17(19)20(13,25)9-21/h9-10,17,22,25H,6-8H2,1-5H3/t17-,19+,20+/m0/s1 |
| InChI Key | XNVYDUSZVRHEOL-DFQSSKMNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 91.70 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 93.96% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.61% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.66% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.46% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.27% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.86% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.11% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.77% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.45% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.39% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.35% | 93.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.20% | 99.23% |
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.
| Taiwania cryptomerioides |
| PubChem | 15276282 |
| LOTUS | LTS0168371 |
| wikiData | Q105332002 |