Chlorajapolide A, (rel)-
| Internal ID | e03083bc-193b-4013-893a-1f92195fce10 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | (2R,7S,9S,10R,12S)-2-hydroxy-4,9-dimethyl-5-oxo-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3-diene-13-carbaldehyde |
| SMILES (Canonical) | CC1=C2C(CC3(C4CC4C(=C3C2O)C=O)C)OC1=O |
| SMILES (Isomeric) | CC1=C2[C@H](C[C@]3([C@@H]4C[C@@H]4C(=C3[C@H]2O)C=O)C)OC1=O |
| InChI | InChI=1S/C15H16O4/c1-6-11-10(19-14(6)18)4-15(2)9-3-7(9)8(5-16)12(15)13(11)17/h5,7,9-10,13,17H,3-4H2,1-2H3/t7-,9-,10+,13+,15+/m1/s1 |
| InChI Key | UGOMZSBOIHRNKE-BVWZFGMISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 0.00 |
| Chlorajapolide A |
| CHEMBL1668789 |
| SCHEMBL30190268 |
| CHEBI:70171 |
| DTXSID601102924 |
| 1246739-91-2 |
| Q27138512 |
| (4R,5aS,6aR,6bS,7aS)-2,4,5a,6,6a,6b,7,7a-Octahydro-4-hydroxy-3,6b-dimethyl-2-oxocycloprop[2,3]indeno[5,6-b]furan-5-carboxaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.02% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.95% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.01% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.77% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.53% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.47% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.56% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.02% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.41% | 95.50% |
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.
| Chloranthus serratus |
| PubChem | 50993826 |
| NPASS | NPC320231 |
| ChEMBL | CHEMBL1668789 |
| LOTUS | LTS0153542 |
| wikiData | Q27138512 |