(3S,4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol
| Internal ID | bd1e64d1-b0eb-4aae-a182-992379a811b8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (3S,4aS,8aS)-3-(2-hydroxypropan-2-yl)-8a-methyl-5-methylidene-2,3,4,6,7,8-hexahydro-1H-naphthalen-4a-ol |
| SMILES (Canonical) | CC12CCCC(=C)C1(CC(CC2)C(C)(C)O)O |
| SMILES (Isomeric) | C[C@@]12CCCC(=C)[C@]1(C[C@H](CC2)C(C)(C)O)O |
| InChI | InChI=1S/C15H26O2/c1-11-6-5-8-14(4)9-7-12(13(2,3)16)10-15(11,14)17/h12,16-17H,1,5-10H2,2-4H3/t12-,14-,15-/m0/s1 |
| InChI Key | XLVSKPCUSVQGDB-QEJZJMRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.30 |
| 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 | 99.09% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 89.86% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.76% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.09% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.46% | 96.43% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.24% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.12% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.64% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.79% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.01% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.64% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.27% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.90% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.65% | 98.95% |
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.
| Premna microphylla |
| Zingiber officinale |
| PubChem | 12135226 |
| LOTUS | LTS0184445 |
| wikiData | Q105169707 |