(2Z,6S,7E,9R,12E)-9-hydroxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one
| Internal ID | f93c4db2-3286-4d0b-a106-2017fd80349d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (2Z,6S,7E,9R,12E)-9-hydroxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O2/c1-15(2)18-9-8-17(4)14-19(21)13-16(3)7-6-11-20(5,22)12-10-18/h7,10,12,14-15,18,22H,6,8-9,11,13H2,1-5H3/b12-10+,16-7+,17-14-/t18-,20-/m1/s1 |
| InChI Key | MZJKPKNXRRHNST-AIOVJOCOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
| 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 | 98.98% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.68% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.66% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.80% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.16% | 94.75% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.71% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.06% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.10% | 96.43% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.03% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.78% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.77% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.04% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.97% | 96.47% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.48% | 93.99% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.76% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.29% | 96.38% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.12% | 85.14% |
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.
| There are no matching plants. |
| PubChem | 10733337 |
| LOTUS | LTS0039645 |
| wikiData | Q105175638 |