(1R,2R,4aS,5R,8aR)-5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
| Internal ID | b7dcfac7-f3e8-4390-9fbb-57c563ef7d4d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | (1R,2R,4aS,5R,8aR)-5-(2-hydroxyethyl)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol |
| SMILES (Canonical) | CC12CCC(C(C1CCC(=C)C2CCO)(C)CO)O |
| SMILES (Isomeric) | C[C@@]12CC[C@H]([C@@]([C@@H]1CCC(=C)[C@H]2CCO)(C)CO)O |
| InChI | InChI=1S/C16H28O3/c1-11-4-5-13-15(2,12(11)7-9-17)8-6-14(19)16(13,3)10-18/h12-14,17-19H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16+/m1/s1 |
| InChI Key | KUHBMRBRAQRCNT-SUJAAXHWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H28O3 |
| Molecular Weight | 268.39 g/mol |
| Exact Mass | 268.20384475 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.33% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.28% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.54% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.45% | 99.43% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.82% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.73% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.23% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.80% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.59% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.08% | 94.45% |
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.
| Andrographis paniculata |
| PubChem | 163029876 |
| LOTUS | LTS0213443 |
| wikiData | Q105146144 |