3a,6-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,11b-octahydrocyclopenta[a]anthracene
| Internal ID | d09db045-d6a0-4416-b464-8f48e617d7d0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3a,6-dimethyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,11b-octahydrocyclopenta[a]anthracene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H40/c1-18(2)9-8-10-19(3)25-13-14-26-24-17-21-11-6-7-12-22(21)20(4)23(24)15-16-27(25,26)5/h6,11,17-19,25-26H,7-10,12-16H2,1-5H3 |
| InChI Key | RDBOKLTXJDYSFQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40 |
| Molecular Weight | 364.60 g/mol |
| Exact Mass | 364.313001276 g/mol |
| Topological Polar Surface Area (TPSA) | 0.00 Ų |
| XlogP | 9.50 |
| There are no found synonyms. |
![2D Structure of 3a,6-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,11b-octahydrocyclopenta[a]anthracene](https://plantaedb.com/storage/docs/compounds/2023/11/3a6-dimethyl-3-6-methylheptan-2-yl-123457811b-octahydrocyclopentaaanthracene.jpg "2D Structure of 3a,6-Dimethyl-3-(6-methylheptan-2-yl)-1,2,3,4,5,7,8,11b-octahydrocyclopenta[a]anthracene")
| 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 | 96.19% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.67% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.88% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 93.16% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.04% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.64% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.56% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.47% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.27% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 87.89% | 85.31% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.59% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.39% | 93.56% |
| CHEMBL240 | Q12809 | HERG | 86.23% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.76% | 95.89% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.39% | 93.18% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.44% | 96.43% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.88% | 90.71% |
| CHEMBL4444 | P04070 | Vitamin K-dependent protein C | 81.65% | 93.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.00% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.61% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.28% | 90.24% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.23% | 92.98% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.14% | 90.24% |
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 | 73236914 |
| LOTUS | LTS0191944 |
| wikiData | Q105234134 |