(2aR,3S,5aS,6R,8aR,9aR,10aS)-Dodecahydro-3,8a,10a-trimethyl-6-(1-methylethyl)-2H-cyclopenta[6 inverted exclamation marka,7 inverted exclamation marka]cycloocta[1 inverted exclamation marka,2 inverted exclamation marka:1,5]cyclopent[1,2-b]oxiren-2-one
| Internal ID | 8b7643e6-8d41-4434-a402-396ff6ae6ec2 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | 3,10,14-trimethyl-6-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.03,7]pentadecan-12-one |
| SMILES (Canonical) | CC1CCC2C(CCC2(CC34C1C(=O)CC3(O4)C)C)C(C)C |
| SMILES (Isomeric) | CC1CCC2C(CCC2(CC34C1C(=O)CC3(O4)C)C)C(C)C |
| InChI | InChI=1S/C20H32O2/c1-12(2)14-8-9-18(4)11-20-17(13(3)6-7-15(14)18)16(21)10-19(20,5)22-20/h12-15,17H,6-11H2,1-5H3 |
| InChI Key | GDYNRIOFRYYOOJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O2 |
| Molecular Weight | 304.50 g/mol |
| Exact Mass | 304.240230259 g/mol |
| Topological Polar Surface Area (TPSA) | 29.60 Ų |
| XlogP | 4.80 |
| 130774-10-6 |
![2D Structure of (2aR,3S,5aS,6R,8aR,9aR,10aS)-Dodecahydro-3,8a,10a-trimethyl-6-(1-methylethyl)-2H-cyclopenta[6 inverted exclamation marka,7 inverted exclamation marka]cycloocta[1 inverted exclamation marka,2 inverted exclamation marka:1,5]cyclopent[1,2-b]oxiren-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5be7ee50-872b-11ee-97e9-5ffdffdec6ef.jpg "2D Structure of (2aR,3S,5aS,6R,8aR,9aR,10aS)-Dodecahydro-3,8a,10a-trimethyl-6-(1-methylethyl)-2H-cyclopenta[6 inverted exclamation marka,7 inverted exclamation marka]cycloocta[1 inverted exclamation marka,2 inverted exclamation marka:1,5]cyclopent[1,2-b]oxiren-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 |
|---|---|---|---|---|
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.50% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.19% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.38% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.84% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.46% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.03% | 97.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.87% | 94.80% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.80% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.62% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.50% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.20% | 98.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.69% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.41% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.49% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.60% | 99.23% |
| CHEMBL4072 | P07858 | Cathepsin B | 83.60% | 93.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.72% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.18% | 96.47% |
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.
| Anastrophyllum auritum |
| Lepicolea ochroleuca |
| Plagiochila adianthoides |
| Pleurozia gigantea |
| Plicanthus hirtellus |
| PubChem | 14707341 |
| LOTUS | LTS0057493 |
| wikiData | Q104403171 |