1-[2-[2-(5-ethyl-6-methylheptan-2-yl)-1-methyl-5-oxocyclopentyl]ethyl]-6-hydroxy-8a-methyl-5-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one
| Internal ID | 00e39a65-fc9b-4e9b-a4e6-27cc2019c57c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives |
| IUPAC Name | 1-[2-[2-(5-ethyl-6-methylheptan-2-yl)-1-methyl-5-oxocyclopentyl]ethyl]-6-hydroxy-8a-methyl-5-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CCC(CCC(C)C1CCC(=O)C1(C)CCC2C(=O)CCC3C2(CCC(C3=C)O)C)C(C)C |
| SMILES (Isomeric) | CCC(CCC(C)C1CCC(=O)C1(C)CCC2C(=O)CCC3C2(CCC(C3=C)O)C)C(C)C |
| InChI | InChI=1S/C30H50O3/c1-8-22(19(2)3)10-9-20(4)23-12-14-28(33)30(23,7)17-15-25-27(32)13-11-24-21(5)26(31)16-18-29(24,25)6/h19-20,22-26,31H,5,8-18H2,1-4,6-7H3 |
| InChI Key | GBSGIDZKDVEYCC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H50O3 |
| Molecular Weight | 458.70 g/mol |
| Exact Mass | 458.37599545 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 1-[2-[2-(5-ethyl-6-methylheptan-2-yl)-1-methyl-5-oxocyclopentyl]ethyl]-6-hydroxy-8a-methyl-5-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/86666b10-86c2-11ee-962c-d5f6135905aa.jpg "2D Structure of 1-[2-[2-(5-ethyl-6-methylheptan-2-yl)-1-methyl-5-oxocyclopentyl]ethyl]-6-hydroxy-8a-methyl-5-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-one")
| 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 | 97.55% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.44% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.64% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.48% | 90.71% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.96% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.71% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.66% | 99.43% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.43% | 94.75% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.29% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.20% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.71% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.38% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 85.11% | 96.38% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.80% | 93.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.63% | 99.23% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.52% | 93.67% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 83.37% | 92.78% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.05% | 96.77% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.71% | 100.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.33% | 98.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.86% | 92.62% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.33% | 96.43% |
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.
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| There are no matching plants. |
| PubChem | 73836317 |
| LOTUS | LTS0075769 |
| wikiData | Q105006062 |