(5S,6R,8S,8aS)-6,8a-dihydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-1,4,5,6,7,8-hexahydroazulen-2-one
| Internal ID | c760440b-d2ed-434f-a971-995116322190 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Guaianes |
| IUPAC Name | (5S,6R,8S,8aS)-6,8a-dihydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-1,4,5,6,7,8-hexahydroazulen-2-one |
| SMILES (Canonical) | CC1CC(C(CC2=C(C(=O)CC12O)C)C(C)(C)O)O |
| SMILES (Isomeric) | C[C@H]1C[C@H]([C@H](CC2=C(C(=O)C[C@]12O)C)C(C)(C)O)O |
| InChI | InChI=1S/C15H24O4/c1-8-5-12(16)11(14(3,4)18)6-10-9(2)13(17)7-15(8,10)19/h8,11-12,16,18-19H,5-7H2,1-4H3/t8-,11-,12+,15-/m0/s1 |
| InChI Key | BMNVAUVOOUYDDR-VCJARVCASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 0.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.82% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.73% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.24% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.07% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.64% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.08% | 97.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.24% | 93.04% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.93% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.88% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.29% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.20% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.78% | 96.09% |
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.
| Daucus carota |
| PubChem | 45102166 |
| LOTUS | LTS0121281 |
| wikiData | Q104938463 |