Patchoula-2,4-diene
| Internal ID | 44eeb338-e32d-4ec5-ac8f-9a77b0278282 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1 |
| InChI Key | DPHLFUXQEZYZAP-JMSVASOKSA-N |
| Popularity | 3 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 | 4.30 |
| LMPR0103450001 |
| 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 | 91.64% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 88.32% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.81% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.99% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.64% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.13% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.67% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.39% | 93.04% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 83.58% | 93.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.54% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.26% | 98.95% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 83.00% | 86.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.82% | 82.69% |
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.
| Cyperus alopecuroides |
| PubChem | 42608161 |
| LOTUS | LTS0224380 |
| wikiData | Q76535286 |