(1R,2R,5S,8R,11S,12S)-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one
| Internal ID | d64d8474-dbd3-43eb-a542-2d00932d66d0 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | (1R,2R,5S,8R,11S,12S)-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one |
| SMILES (Canonical) | CC12CCCC3(C1CCC45C3(CCC(C4)C(=C)C5)C)OC2=O |
| SMILES (Isomeric) | C[C@]12CCC[C@]3([C@H]1CC[C@@]45[C@]3(CC[C@@H](C4)C(=C)C5)C)OC2=O |
| InChI | InChI=1S/C20H28O2/c1-13-11-19-10-6-15-17(2)7-4-8-20(15,22-16(17)21)18(19,3)9-5-14(13)12-19/h14-15H,1,4-12H2,2-3H3/t14-,15-,17-,18+,19-,20+/m0/s1 |
| InChI Key | ZPJLCCRNYWMMRT-KELLYURESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H28O2 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.40 |
| 73483-88-2 |
![2D Structure of (1R,2R,5S,8R,11S,12S)-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/94494980-87b5-11ee-8a1a-3fe13419f946.jpg "2D Structure of (1R,2R,5S,8R,11S,12S)-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-17-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 | 96.22% | 96.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.15% | 97.25% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 91.08% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.72% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.05% | 93.04% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.80% | 82.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.63% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.69% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.28% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.35% | 99.23% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.09% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.83% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.53% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.11% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.96% | 97.05% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.09% | 96.77% |
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.
| Sphagneticola trilobata |
| PubChem | 133561900 |
| LOTUS | LTS0051334 |
| wikiData | Q105380964 |