1,4,9-Cadinatriene
| Internal ID | 989ee5d3-46dc-40ca-b961-d8f0c34d3f15 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4,7-dimethyl-1-propan-2-yl-1,2,6,8a-tetrahydronaphthalene |
| SMILES (Canonical) | CC1=CC2C(CC=C(C2=CC1)C)C(C)C |
| SMILES (Isomeric) | CC1=CC2C(CC=C(C2=CC1)C)C(C)C |
| InChI | InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6-7,9-10,13,15H,5,8H2,1-4H3 |
| InChI Key | KGEVYKNFJQYULL-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C15H22 |
| Molecular Weight | 202.33 g/mol |
| Exact Mass | 202.172150702 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 3.80 |
| 1,4,9-Cadinatriene |
| (-)-Cadala-1,4,9-triene |
| DTXSID401166390 |
| (1S)-1,2,6,8a-Tetrahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene |
| 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 | 89.56% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.97% | 98.95% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 86.43% | 97.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.26% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.69% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.92% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.11% | 96.47% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.03% | 86.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.91% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.41% | 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.
To see more specific details click the taxa you are interested in.
| Acorus calamus |
| PubChem | 14083575 |
| LOTUS | LTS0130921 |
| wikiData | Q105140736 |