Jatrophon
| Internal ID | 693dc465-96e9-4a99-a5e3-a3c4d24ec58e |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones |
| IUPAC Name | (1R,3R,6Z,9E)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione |
| SMILES (Canonical) | CC1CC23C(=C1)C=C(C(=O)C=CC(CC(=C(C2=O)C)O3)(C)C)C |
| SMILES (Isomeric) | C[C@@H]1C[C@@]23C(=C1)/C=C(\C(=O)/C=C/C(CC(=C(C2=O)C)O3)(C)C)/C |
| InChI | InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6+,13-9-/t12-,20+/m0/s1 |
| InChI Key | MJNNONLDVCCGCA-ZQHAHMAHSA-N |
| Popularity | 23 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.70 |
| CHEBI:6086 |
| Jatrophon |
| Jatropha principle |
| (+)-Jatrophone |
| 29444-03-9 |
| NSC-135037 |
| 3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, (2R-(2R*,3aR*,9E,12Z))- |
| 3a,6-Epoxy-3aH-cyclopentacyclododecene-4,11-dione, 2,3,7,8-tetrahydro-2,5,8,8,12-pentamethyl-, [2R-(2R*,3aR*,9E,12Z)]- |
| Jatrophone, (+)- |
| R6ZN436TPE |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.88% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.18% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.71% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.83% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.42% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.07% | 97.25% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.80% | 86.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.76% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.62% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.32% | 94.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.83% | 90.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.81% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.23% | 94.45% |
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.
| Jatropha elliptica |
| Jatropha gossypiifolia |
| Jatropha multifida |
| PubChem | 6325446 |
| LOTUS | LTS0173165 |
| wikiData | Q27107043 |