4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,4,6-triol
| Internal ID | 60ec13dc-e2fb-44ad-9679-d602fef458e8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,4,6-triol |
| SMILES (Canonical) | CC(C)C1(CCC2(C(CCC(C2C1)(C)O)O)C)O |
| SMILES (Isomeric) | CC(C)C1(CCC2(C(CCC(C2C1)(C)O)O)C)O |
| InChI | InChI=1S/C15H28O3/c1-10(2)15(18)8-7-13(3)11(9-15)14(4,17)6-5-12(13)16/h10-12,16-18H,5-9H2,1-4H3 |
| InChI Key | HZQODNRPUJAVLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.38 g/mol |
| Exact Mass | 256.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.90 |
| 145400-02-8 |
| AKOS032948300 |
| A884624 |
| B0005-166613 |
| 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 | 96.56% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.81% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.15% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.02% | 82.69% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.57% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.20% | 97.09% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.22% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.01% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.70% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.84% | 94.75% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.03% | 95.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.50% | 96.21% |
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.
| Homalomena aromatica |
| Homalomena occulta |
| Teucrium ramosissimum |
| PubChem | 73323499 |
| LOTUS | LTS0194521 |
| wikiData | Q105035795 |