Euglobal G2
| Internal ID | b4b2bef3-47bb-45f8-8c56-00c4fa0be466 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (1R,2S,11R,13S)-6,8-dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5-carbaldehyde |
| SMILES (Canonical) | CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC3CC4CC(C4(C)C)C3(O2)C)C=O)O |
| SMILES (Isomeric) | CC(C)CC(=O)C1=C(C(=C2C(=C1O)C[C@H]3C[C@H]4C[C@@H]([C@]3(O2)C)C4(C)C)C=O)O |
| InChI | InChI=1S/C23H30O5/c1-11(2)6-16(25)18-19(26)14-8-13-7-12-9-17(22(12,3)4)23(13,5)28-21(14)15(10-24)20(18)27/h10-13,17,26-27H,6-9H2,1-5H3/t12-,13+,17+,23-/m0/s1 |
| InChI Key | XPIQRNXFCGGGHZ-UTNBYVNNSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C23H30O5 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.20932405 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 5.20 |
| SCHEMBL96413 |
| CHEMBL258664 |
| (1R,2S,11R,13S)-6,8-dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5-carbaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.58% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.33% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.87% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.30% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.09% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.41% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.49% | 97.09% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 86.24% | 98.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.93% | 97.25% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 85.32% | 85.11% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 84.23% | 89.67% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.87% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.74% | 93.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.18% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.21% | 100.00% |
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.
| Eucalyptus grandis |
| PubChem | 10905146 |
| LOTUS | LTS0117397 |
| wikiData | Q105338411 |