Trichobisabolin A
| Internal ID | 2fd6402c-5eee-43b6-93d5-d50aacc86381 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (Z,6R)-6-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]-2-methylhept-2-ene-1,4-diol |
| SMILES (Canonical) | CC(CC(C=C(C)CO)O)C1CCC(C=C1)(C)O |
| SMILES (Isomeric) | C[C@H](CC(/C=C(/C)\CO)O)[C@@H]1CC[C@@](C=C1)(C)O |
| InChI | InChI=1S/C15H26O3/c1-11(10-16)8-14(17)9-12(2)13-4-6-15(3,18)7-5-13/h4,6,8,12-14,16-18H,5,7,9-10H2,1-3H3/b11-8-/t12-,13+,14?,15+/m1/s1 |
| InChI Key | MTNSZYGCSBZUGD-KDUVGBSDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.70 |
| 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 | 97.91% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.10% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.08% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.33% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.90% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.20% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.01% | 95.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.53% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.41% | 97.09% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.71% | 97.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.63% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.13% | 100.00% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 82.89% | 98.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.18% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.77% | 93.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.17% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.94% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.47% | 95.93% |
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 | 146683365 |
| LOTUS | LTS0092888 |
| wikiData | Q105171794 |