1a,2-Diformyl-5,6b-dimethyl-1,3a,6,6a-tetrahydrocyclopropa[e]indene-4-carboxylic acid
| Internal ID | bd063cdc-438d-4d0a-8535-050f3ac06002 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 1a,2-diformyl-5,6b-dimethyl-1,3a,6,6a-tetrahydrocyclopropa[e]indene-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O4/c1-8-3-11-10(12(8)13(18)19)4-9(5-16)15(7-17)6-14(11,15)2/h4-5,7,10-11H,3,6H2,1-2H3,(H,18,19) |
| InChI Key | YUNUPXLLGHNNNK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 1a,2-Diformyl-5,6b-dimethyl-1,3a,6,6a-tetrahydrocyclopropa[e]indene-4-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1a2-diformyl-56b-dimethyl-13a66a-tetrahydrocyclopropaeindene-4-carboxylic-acid.jpg "2D Structure of 1a,2-Diformyl-5,6b-dimethyl-1,3a,6,6a-tetrahydrocyclopropa[e]indene-4-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.85% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.00% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.42% | 93.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.97% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 81.91% | 97.50% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.32% | 93.67% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.01% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.01% | 93.56% |
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 | 85222712 |
| LOTUS | LTS0132955 |
| wikiData | Q104202104 |