4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
| Internal ID | 8eee9441-8e15-49d0-bb54-5be06d7bf5e2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one |
| SMILES (Canonical) | CC(=O)CCC1C(=C)CCC2C1(CCCC2(C)C)C |
| SMILES (Isomeric) | CC(=O)CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C |
| InChI | InChI=1S/C18H30O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h15-16H,1,6-12H2,2-5H3/t15-,16-,18+/m1/s1 |
| InChI Key | JUSMYQGXNCVARI-NUJGCVRESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H30O |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.229665576 g/mol |
| Topological Polar Surface Area (TPSA) | 17.10 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-1r4ar8ar-558a-trimethyl-2-methylidene-344a678-hexahydro-1h-naphthalen-1-ylbutan-2-one.jpg "2D Structure of 4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one")
| 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 | 97.49% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.11% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.55% | 96.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.05% | 82.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.95% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.96% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.58% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.14% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.56% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.34% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.18% | 94.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.13% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.45% | 100.00% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.27% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.19% | 92.50% |
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.
| Morithamnus crassus |
| Ruppia maritima |
| PubChem | 15600017 |
| LOTUS | LTS0076974 |
| wikiData | Q105135387 |