(2S,4aS,6S,8aS)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene-2,6-diol
| Internal ID | 6c70a4a1-2909-4fb2-bf4b-c95e434ad426 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (2S,4aS,6S,8aS)-6-(3-hydroxyprop-1-en-2-yl)-8a-methyl-4-methylidene-2,3,4a,5,7,8-hexahydro-1H-naphthalene-2,6-diol |
| SMILES (Canonical) | CC12CCC(CC1C(=C)CC(C2)O)(C(=C)CO)O |
| SMILES (Isomeric) | C[C@@]12CC[C@](C[C@H]1C(=C)C[C@@H](C2)O)(C(=C)CO)O |
| InChI | InChI=1S/C15H24O3/c1-10-6-12(17)7-14(3)4-5-15(18,8-13(10)14)11(2)9-16/h12-13,16-18H,1-2,4-9H2,3H3/t12-,13-,14-,15-/m0/s1 |
| InChI Key | FWFIRFWQECUTFI-AJNGGQMLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.35 g/mol |
| Exact Mass | 252.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.35% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.56% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.05% | 97.25% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.60% | 99.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.76% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.21% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.80% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.17% | 97.93% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.94% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.10% | 82.69% |
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.
| Saussurea laniceps |
| PubChem | 11345767 |
| LOTUS | LTS0128914 |
| wikiData | Q105003204 |