7-(1,2-dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-4,5-diol
| Internal ID | 7a33eef6-40dc-4c40-a1a8-3a3bf3e86d1e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
| IUPAC Name | 7-(1,2-dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-4,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H28O4/c1-9-4-5-12-11(9)6-10(14(2,18)8-16)7-13(17)15(12,3)19/h9-13,16-19H,4-8H2,1-3H3 |
| InChI Key | KFZFUCCFQQZMRH-UHFFFAOYSA-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 | 0.80 |
| 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 | 98.90% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.81% | 83.82% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.45% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.06% | 96.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 93.47% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.27% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.04% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.94% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.99% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 85.33% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.35% | 96.43% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.03% | 96.77% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.98% | 91.03% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 82.92% | 94.01% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.84% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.52% | 96.61% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.45% | 98.46% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.03% | 96.95% |
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 | 163064172 |
| LOTUS | LTS0192715 |
| wikiData | Q104170253 |