(1S,3aR,8aS)-1-methyl-4-methylidene-6-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulen-1-ol
| Internal ID | 01f06835-5222-4725-b22a-f7afb1a52a9f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | (1S,3aR,8aS)-1-methyl-4-methylidene-6-propan-2-yl-2,3,3a,5,8,8a-hexahydroazulen-1-ol |
| SMILES (Canonical) | CC(C)C1=CCC2C(CCC2(C)O)C(=C)C1 |
| SMILES (Isomeric) | CC(C)C1=CC[C@H]2[C@@H](CC[C@]2(C)O)C(=C)C1 |
| InChI | InChI=1S/C15H24O/c1-10(2)12-5-6-14-13(11(3)9-12)7-8-15(14,4)16/h5,10,13-14,16H,3,6-9H2,1-2,4H3/t13-,14-,15-/m0/s1 |
| InChI Key | MDWXTAJJDBSNKM-KKUMJFAQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O |
| Molecular Weight | 220.35 g/mol |
| Exact Mass | 220.182715385 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 2.90 |
| 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 | 98.24% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.55% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.60% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.57% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.82% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.35% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.91% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.67% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.17% | 97.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.91% | 90.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.39% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.49% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.10% | 89.05% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.48% | 85.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.29% | 98.35% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.04% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.23% | 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.
| Schisandra sphenanthera |
| PubChem | 162927020 |
| LOTUS | LTS0081084 |
| wikiData | Q105162010 |