(2Z,6S,7E,9R,12E)-9-methoxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one
| Internal ID | dda72fae-dc21-4d88-a1d6-3df05d9a51c5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Cembrane diterpenoids |
| IUPAC Name | (2Z,6S,7E,9R,12E)-9-methoxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one |
| SMILES (Canonical) | CC1=CC(=O)CC(=CCCC(C=CC(CC1)C(C)C)(C)OC)C |
| SMILES (Isomeric) | C/C/1=C/C(=O)C/C(=C/CC[C@@](/C=C/[C@@H](CC1)C(C)C)(C)OC)/C |
| InChI | InChI=1S/C21H34O2/c1-16(2)19-10-9-18(4)15-20(22)14-17(3)8-7-12-21(5,23-6)13-11-19/h8,11,13,15-16,19H,7,9-10,12,14H2,1-6H3/b13-11+,17-8+,18-15-/t19-,21-/m1/s1 |
| InChI Key | CURKPQUIRKLGEJ-YNDMBLGRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H34O2 |
| Molecular Weight | 318.50 g/mol |
| Exact Mass | 318.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.50 |
| 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 | 98.81% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.65% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.91% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.35% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.31% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.04% | 96.43% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.67% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.04% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.92% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.88% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.27% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.66% | 96.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.24% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.93% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.63% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.48% | 96.47% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.40% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.43% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 10710714 |
| LOTUS | LTS0077945 |
| wikiData | Q105103271 |