Trichobisabolin B
| Internal ID | 77b72f9d-5c26-4c6a-862f-eb8f832d4119 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 2-[(2R)-2-[(1S,4R)-4-hydroxy-4-methylcyclohex-2-en-1-yl]propyl]-4-methyl-2H-furan-5-one |
| SMILES (Canonical) | CC1=CC(OC1=O)CC(C)C2CCC(C=C2)(C)O |
| SMILES (Isomeric) | CC1=CC(OC1=O)C[C@@H](C)[C@@H]2CC[C@@](C=C2)(C)O |
| InChI | InChI=1S/C15H22O3/c1-10(8-13-9-11(2)14(16)18-13)12-4-6-15(3,17)7-5-12/h4,6,9-10,12-13,17H,5,7-8H2,1-3H3/t10-,12+,13?,15+/m1/s1 |
| InChI Key | DCLJMBAXVKHPKN-SUTJQRNSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.33 g/mol |
| Exact Mass | 250.15689456 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.97% | 94.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.46% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 95.01% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.56% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.27% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.01% | 93.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.08% | 93.99% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.87% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.40% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.23% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.93% | 96.47% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.62% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.36% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.87% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.12% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.64% | 97.14% |
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 | 146683366 |
| LOTUS | LTS0086910 |
| wikiData | Q104975574 |