1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (S-(E,Z,E,E))-
| Internal ID | 2379a885-eded-47c4-9595-09e0f2e99573 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (1E,3Z,6E,10Z,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene |
| SMILES (Canonical) | CC1=CCCC(=CCC=C(C=CC(CC1)C(C)C)C)C |
| SMILES (Isomeric) | C/C/1=C/CC/C(=C/C/C=C(\C=C\[C@@H](CC1)C(C)C)/C)/C |
| InChI | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11-/t20-/m0/s1 |
| InChI Key | DMHADBQKVWXPPM-PDDCSNRZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32 |
| Molecular Weight | 272.50 g/mol |
| Exact Mass | 272.250401021 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 6.00 |
| (1E,3Z,6E,10Z,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-1,3,6,10-tetraene |
| 1898-13-1 |
| Cembrene |
| (S-(E,Z,E,E))-3,7,11-Trimethyl-14-(1-methylethyl)-1,3,6,10-cyclotetradecatetraene |
| 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 | 95.30% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.52% | 91.11% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.03% | 97.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.69% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.19% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.52% | 95.56% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.90% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.88% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.12% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.28% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.71% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.17% | 95.89% |
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.
| Nicotiana tabacum |
| Pinus albicaulis |
| Pinus morrisonicola |
| PubChem | 6436662 |
| LOTUS | LTS0098037 |
| wikiData | Q104985088 |