2-[2-(2-Formyl-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedial
| Internal ID | 8b560e85-6c9e-4976-ba2a-1d125c488e1b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-[2-(2-formyl-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedial |
| SMILES (Canonical) | CC1(CCCC2(C1CCC(C2CC=C(CC=O)C=O)C=O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1CCC(C2CC=C(CC=O)C=O)C=O)C)C |
| InChI | InChI=1S/C20H30O3/c1-19(2)10-4-11-20(3)17(7-5-15(13-22)9-12-21)16(14-23)6-8-18(19)20/h5,12-14,16-18H,4,6-11H2,1-3H3 |
| InChI Key | VOEKGBXENFNRQW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 2-[2-(2-Formyl-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedial](https://plantaedb.com/storage/docs/compounds/2023/11/2-2-2-formyl-558a-trimethyl-12344a678-octahydronaphthalen-1-ylethylidenebutanedial.jpg "2D Structure of 2-[2-(2-Formyl-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl)ethylidene]butanedial")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.63% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.78% | 94.75% |
| CHEMBL233 | P35372 | Mu opioid receptor | 90.78% | 97.93% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.58% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.19% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.17% | 96.09% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.83% | 99.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.45% | 95.50% |
| CHEMBL4370 | P16662 | UDP-glucuronosyltransferase 2B7 | 85.70% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.54% | 95.92% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.65% | 95.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.19% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.98% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.68% | 82.69% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.39% | 97.47% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.99% | 97.50% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.67% | 97.78% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.81% | 96.43% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.13% | 90.08% |
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.
| Zingiber mioga |
| PubChem | 73128902 |
| LOTUS | LTS0186323 |
| wikiData | Q105290142 |