7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalene-2,8a-diol
| Internal ID | 19ce6bb7-6e92-4d75-be7a-98814b3afd20 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 7-(2-hydroxypropan-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalene-2,8a-diol |
| SMILES (Canonical) | CC12CCC(CC1(C(=C)C(CC2)O)O)C(C)(C)O |
| SMILES (Isomeric) | CC12CCC(CC1(C(=C)C(CC2)O)O)C(C)(C)O |
| InChI | InChI=1S/C15H26O3/c1-10-12(16)6-8-14(4)7-5-11(13(2,3)17)9-15(10,14)18/h11-12,16-18H,1,5-9H2,2-4H3 |
| InChI Key | XCCCZSYNQKEDMD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.00 |
| 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 | 97.86% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.97% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.43% | 96.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 89.41% | 100.00% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 88.18% | 99.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.18% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.79% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.72% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.84% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.64% | 91.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.47% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.37% | 97.14% |
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.
| Chrysanthemum indicum |
| PubChem | 163044496 |
| LOTUS | LTS0173013 |
| wikiData | Q105324880 |