7-(1,2-dihydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulene-2,4-diol
| Internal ID | 4d3b0be7-1ef4-40cf-88aa-9888dfe30204 |
| 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-2,4-diol |
| SMILES (Canonical) | CC1C2CC(CCC(C2CC1O)(C)O)C(C)(CO)O |
| SMILES (Isomeric) | CC1C2CC(CCC(C2CC1O)(C)O)C(C)(CO)O |
| InChI | InChI=1S/C15H28O4/c1-9-11-6-10(15(3,19)8-16)4-5-14(2,18)12(11)7-13(9)17/h9-13,16-19H,4-8H2,1-3H3 |
| InChI Key | WTIPTDQVDAVYRV-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 | 0.60 |
| 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 | 99.66% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.57% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.95% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 92.28% | 96.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 92.26% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 92.23% | 97.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.09% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.85% | 96.61% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.84% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.25% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 86.56% | 98.10% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.78% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.74% | 91.03% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.62% | 98.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.42% | 85.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.53% | 97.05% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.31% | 97.63% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.30% | 89.05% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.69% | 95.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.19% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.08% | 95.38% |
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 | 163064168 |
| LOTUS | LTS0208690 |
| wikiData | Q104200619 |