2-[(1aS,3aS,7S,7aS)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol
| Internal ID | 74d90d69-5f16-4883-813e-be776cf0df99 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[(1aS,3aS,7S,7aS)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O/c1-11-6-5-7-13(4)8-9-14(12(2,3)16)10-15(11,13)14/h11,16H,5-10H2,1-4H3/t11-,13-,14+,15-/m0/s1 |
| InChI Key | JUXDFQMZOFALSA-MHEUCROKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 2-[(1aS,3aS,7S,7aS)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-1as3as7s7as-3a7-dimethyl-234567-hexahydro-1h-cyclopropaiinden-1a-ylpropan-2-ol.jpg "2D Structure of 2-[(1aS,3aS,7S,7aS)-3a,7-dimethyl-2,3,4,5,6,7-hexahydro-1H-cyclopropa[i]inden-1a-yl]propan-2-ol")
| 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 | 96.85% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.98% | 97.09% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 91.80% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.03% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.61% | 83.82% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.45% | 96.61% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.77% | 82.69% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.68% | 93.04% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.59% | 95.88% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 85.48% | 95.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.10% | 96.43% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 83.96% | 96.38% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.86% | 95.93% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.08% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.72% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.37% | 98.95% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.29% | 98.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.95% | 100.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.66% | 91.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.44% | 91.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.11% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.86% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.56% | 97.79% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.25% | 97.93% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 80.08% | 95.69% |
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.
| There are no matching plants. |
| PubChem | 162870949 |
| LOTUS | LTS0203147 |
| wikiData | Q105135491 |