1,3-Dihydroxy-10a-methyl-2-(3-methylbutanoyl)-7-propan-2-yl-5,8,8a,9-tetrahydroxanthene-4-carbaldehyde
| Internal ID | 7e3c2559-09c4-42eb-8927-f847d96dd93c |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | 1,3-dihydroxy-10a-methyl-2-(3-methylbutanoyl)-7-propan-2-yl-5,8,8a,9-tetrahydroxanthene-4-carbaldehyde |
| SMILES (Canonical) | CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC3CC(=CCC3(O2)C)C(C)C)C=O)O |
| SMILES (Isomeric) | CC(C)CC(=O)C1=C(C(=C2C(=C1O)CC3CC(=CCC3(O2)C)C(C)C)C=O)O |
| InChI | InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6,11-13,15,26-27H,7-10H2,1-5H3 |
| InChI Key | UKSGQAYAOWHWML-UHFFFAOYSA-N |
| Popularity | 0 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 | 5.10 |
| There are no found synonyms. |
| 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 | 97.66% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.94% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.19% | 94.45% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.05% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.54% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.89% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.48% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.98% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.85% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.57% | 98.75% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.62% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.87% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.78% | 100.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.70% | 94.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.41% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.08% | 91.19% |
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 | 85283357 |
| LOTUS | LTS0081262 |
| wikiData | Q105274861 |