(1R,2R,5R,8S,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-15-one
| Internal ID | eacdf911-7cfd-4dfd-a637-78a0a09b83c0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (1R,2R,5R,8S,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-15-one |
| SMILES (Canonical) | CC1=CC23CCC4C5(CCCC4(C2CCC1C3)C(=O)OC5)C |
| SMILES (Isomeric) | CC1=C[C@@]23CC[C@@H]4[C@]5(CCC[C@]4([C@@H]2CC[C@@H]1C3)C(=O)OC5)C |
| InChI | InChI=1S/C20H28O2/c1-13-10-19-9-6-15-18(2)7-3-8-20(15,17(21)22-12-18)16(19)5-4-14(13)11-19/h10,14-16H,3-9,11-12H2,1-2H3/t14-,15-,16-,18+,19-,20+/m1/s1 |
| InChI Key | MIAKBZORJGGHPO-NUBKVZTMSA-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 | 4.80 |
| There are no found synonyms. |
![2D Structure of (1R,2R,5R,8S,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-15-one](https://plantaedb.com/storage/docs/compounds/2023/11/1r2r5r8s11r12r-612-dimethyl-14-oxapentacyclo10331580111028nonadec-6-en-15-one.jpg "2D Structure of (1R,2R,5R,8S,11R,12R)-6,12-dimethyl-14-oxapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-6-en-15-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 | 98.41% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.05% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.06% | 97.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.76% | 82.69% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.65% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.60% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.98% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.48% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.79% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.24% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.52% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 83.25% | 85.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.21% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.06% | 96.77% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.43% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.12% | 96.61% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.29% | 94.80% |
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.
| Tripterygium doianum |
| PubChem | 12150227 |
| LOTUS | LTS0076387 |
| wikiData | Q105164455 |