Xylaguaianol B
| Internal ID | a9e5d471-5c71-4097-b793-bcdb01683abc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
| IUPAC Name | (1R,3aS,4R,7S,8aS)-7-[(2R)-1,2-dihydroxypropan-2-yl]-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol |
| SMILES (Canonical) | CC1(CCC(CC2C1CCC2(C)O)C(C)(CO)O)O |
| SMILES (Isomeric) | C[C@]1(CC[C@@H](C[C@H]2[C@@H]1CC[C@@]2(C)O)[C@](C)(CO)O)O |
| InChI | InChI=1S/C15H28O4/c1-13(17)6-4-10(15(3,19)9-16)8-12-11(13)5-7-14(12,2)18/h10-12,16-19H,4-9H2,1-3H3/t10-,11-,12-,13+,14+,15-/m0/s1 |
| InChI Key | YPCHDQUGYDAPIS-VMCMIOBHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O4 |
| Molecular Weight | 272.38 g/mol |
| Exact Mass | 272.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 80.90 Ų |
| XlogP | 0.30 |
| 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 | 99.82% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.63% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.90% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 93.22% | 95.93% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 91.96% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.51% | 96.43% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.29% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.58% | 97.09% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 87.78% | 98.10% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.42% | 97.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.30% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.76% | 91.03% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.75% | 97.93% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.61% | 95.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.98% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.30% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.21% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.08% | 95.89% |
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 | 122211421 |
| LOTUS | LTS0238496 |
| wikiData | Q77492353 |