2,5a-Dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol
| Internal ID | 7a73557a-3d1e-4303-9c2b-fe3d978e3e94 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2,5a-dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol |
| SMILES (Canonical) | CC(C)C1C2C1C3C(CCC(C3(C2)C)O)(C)O |
| SMILES (Isomeric) | CC(C)C1C2C1C3C(CCC(C3(C2)C)O)(C)O |
| InChI | InChI=1S/C15H26O2/c1-8(2)11-9-7-14(3)10(16)5-6-15(4,17)13(14)12(9)11/h8-13,16-17H,5-7H2,1-4H3 |
| InChI Key | HAGUIOILOILJEM-UHFFFAOYSA-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 | 2.60 |
| 213769-80-3 |
| AKOS032948677 |
| A879134 |
![2D Structure of 2,5a-Dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/25a-dimethyl-1-propan-2-yl-11a1b34566a-octahydrocyclopropaaindene-25-diol.jpg "2D Structure of 2,5a-Dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol")
| 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 | 96.34% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.92% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 91.18% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.71% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.76% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.48% | 90.17% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.91% | 96.38% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.78% | 96.43% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.68% | 85.31% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.40% | 96.61% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.22% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.19% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.24% | 97.79% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 83.21% | 92.86% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 82.99% | 95.42% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.37% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.63% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.53% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.41% | 96.77% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.01% | 89.05% |
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.
| Magnolia biondii |
| PubChem | 85447826 |
| LOTUS | LTS0042490 |
| wikiData | Q105024875 |