Myrtucommulone G
| Internal ID | 655c8dd7-f024-4fcc-86db-7cf9cdf195f3 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | (4aS,8R,14S,14aR)-6-hexanoyl-1,4a,7-trihydroxy-2,2,4,4,10,10,12,12-octamethyl-8,14-di(propan-2-yl)-1,8,14,14a-tetrahydrochromeno[2,3-a]xanthene-3,9,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H56O9/c1-14-15-16-17-20(41)23-28(42)24-21(18(2)3)26-31(43)36(6,7)34(45)38(10,11)33(26)48-29(24)25-22(19(4)5)27-32(44)37(8,9)35(46)39(12,13)40(27,47)49-30(23)25/h18-19,21-22,27,32,42,44,47H,14-17H2,1-13H3/t21-,22-,27-,32?,40+/m1/s1 |
| InChI Key | LSRMQOHHJSQPQG-PMDINLICSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H56O9 |
| Molecular Weight | 680.90 g/mol |
| Exact Mass | 680.39243336 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | 7.60 |
| (4aS,8R,14S,14aR)-6-hexanoyl-1,4a,7-trihydroxy-2,2,4,4,10,10,12,12-octamethyl-8,14-di(propan-2-yl)-1,8,14,14a-tetrahydrochromeno(2,3-a)xanthene-3,9,11-trione |
| (4aS,8R,14S,14aR)-6-hexanoyl-1,4a,7-trihydroxy-2,2,4,4,10,10,12,12-octamethyl-8,14-di(propan-2-yl)-1,8,14,14a-tetrahydrochromeno[2,3-a]xanthene-3,9,11-trione |
| RefChem:160504 |
| 1051388-74-9 |
| CHEMBL499011 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.02% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.53% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.73% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.07% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.76% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.39% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.27% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.89% | 99.23% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.48% | 95.17% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.73% | 85.94% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 89.54% | 91.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.94% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.88% | 99.17% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.05% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.45% | 97.09% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.35% | 97.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.69% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.11% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.05% | 90.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.04% | 96.90% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.58% | 100.00% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.34% | 96.37% |
| CHEMBL2842 | P42345 | Serine/threonine-protein kinase mTOR | 80.80% | 92.78% |
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.
| Corymbia scabrida |
| PubChem | 44587064 |
| NPASS | NPC475131 |
| ChEMBL | CHEMBL499011 |
| LOTUS | LTS0175338 |
| wikiData | Q105156728 |