Rotundial
| Internal ID | 7032692c-0b64-42ec-bfb9-07d00d8119c3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | 2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde |
| SMILES (Canonical) | CC1=C(C(CC1)CC=O)C=O |
| SMILES (Isomeric) | CC1=C(C(CC1)CC=O)C=O |
| InChI | InChI=1S/C9H12O2/c1-7-2-3-8(4-5-10)9(7)6-11/h5-6,8H,2-4H2,1H3 |
| InChI Key | KBJJMMFFLYXMPU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.19 g/mol |
| Exact Mass | 152.083729621 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 0.20 |
| 2-methyl-5-(2-oxoethyl)cyclopentene-1-carbaldehyde |
| SCHEMBL5913018 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.06% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.35% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.17% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.96% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.87% | 96.09% |
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.
| Alberta magna |
| Vitex trifolia subsp. litoralis |
| PubChem | 10964699 |
| LOTUS | LTS0130405 |
| wikiData | Q105138285 |