5-(3a,7b-Dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl)-3-methylpent-2-enoic acid
| Internal ID | b6ad51e6-e7c1-428a-8bbe-a51a9038e94a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 5-(3a,7b-dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl)-3-methylpent-2-enoic acid |
| SMILES (Canonical) | CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC3C2(C3)C)C |
| SMILES (Isomeric) | CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC3C2(C3)C)C |
| InChI | InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22) |
| InChI Key | PCLDEDSUWNZZDJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 5.80 |
| 113626-22-5 |
![2D Structure of 5-(3a,7b-Dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl)-3-methylpent-2-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/af62b920-85c4-11ee-94f5-13784b12e773.jpg "2D Structure of 5-(3a,7b-Dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl)-3-methylpent-2-enoic 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.35% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.31% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.31% | 96.09% |
| CHEMBL2061 | P19793 | Retinoid X receptor alpha | 86.47% | 91.67% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 86.26% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.69% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.27% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.21% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.76% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.46% | 83.82% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.31% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.08% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.92% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.81% | 98.95% |
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.
| Pinus strobus |
| PubChem | 85249110 |
| LOTUS | LTS0086675 |
| wikiData | Q105205817 |