(2Z,5E,7R,9E)-3,7,10-trimethyl-7-(4-methyl-3-oxopentyl)cycloundeca-2,5,9-trien-1-one
| Internal ID | 7336cd90-268a-40bf-8805-7256c2980d98 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (2Z,5E,7R,9E)-3,7,10-trimethyl-7-(4-methyl-3-oxopentyl)cycloundeca-2,5,9-trien-1-one |
| SMILES (Canonical) | CC1=CC(=O)CC(=CCC(C=CC1)(C)CCC(=O)C(C)C)C |
| SMILES (Isomeric) | C/C/1=C/C(=O)C/C(=C/C[C@@](/C=C/C1)(C)CCC(=O)C(C)C)/C |
| InChI | InChI=1S/C20H30O2/c1-15(2)19(22)9-12-20(5)10-6-7-16(3)13-18(21)14-17(4)8-11-20/h6,8,10,13,15H,7,9,11-12,14H2,1-5H3/b10-6+,16-13-,17-8+/t20-/m0/s1 |
| InChI Key | XMRFJFANWJJSCX-PXNLCEMCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O2 |
| Molecular Weight | 302.50 g/mol |
| Exact Mass | 302.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.91% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.11% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.17% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.61% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.31% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.07% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.39% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.31% | 96.77% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.15% | 96.47% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.54% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.34% | 94.75% |
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.
| Odontoschisma denudatum |
| PubChem | 101936180 |
| LOTUS | LTS0088063 |
| wikiData | Q105331371 |