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CHEBI:69093 - semilicoisoflavone B
| Formula | C20H16O6 |
| Net Charge | 0 |
| Average Mass | 352.342 |
| Monoisotopic Mass | 352.09469 |
| SMILES | CC1(C)C=Cc2cc(-c3coc4cc(O)cc(O)c4c3=O)cc(O)c2O1 |
| InChI | InChI=1S/C20H16O6/c1-20(2)4-3-10-5-11(6-15(23)19(10)26-20)13-9-25-16-8-12(21)7-14(22)17(16)18(13)24/h3-9,21-23H,1-2H3 |
| InChIKey | LWZACZCRAUQSLH-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Glycyrrhiza uralensis (ncbitaxon:74613) | root (BTO:0001188) | PubMed (22074222) | Dried and ground roots extracted with supercritical CO2 with 5% EtOH as modifier |
| Roles Classification |
|---|
| Biological Roles: | EC 1.1.1.21 (aldehyde reductase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of aldehyde reductase (EC 1.1.1.21). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| semilicoisoflavone B (CHEBI:69093) has role EC 1.1.1.21 (aldehyde reductase) inhibitor (CHEBI:48550) |
| semilicoisoflavone B (CHEBI:69093) has role plant metabolite (CHEBI:76924) |
| semilicoisoflavone B (CHEBI:69093) is a 7-hydroxyisoflavones (CHEBI:55465) |
| IUPAC Name |
|---|
| 5,7,8'-trihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one |
| Synonyms | Source |
|---|---|
| 5,7,8'-trihydroxy-2',2'-dimethyl-2'H-(3,6')bi(1-benzopyranyl)-4-one | ChemIDplus |
| 5,7-dihydroxy-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one | HMDB |
| Manual Xrefs | Databases |
|---|---|
| LMPK12050248 | LIPID MAPS |
| HMDB0035184 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3629663 | Reaxys |
| CAS:129280-33-7 | ChemIDplus |
| Citations |
|---|