loading...| Preferred Name |
glabridin |
|
| Synonyms |
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]benzene-1,3-diol |
|
| Definitions |
A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5369 |
|
| charge |
0 |
|
| database_cross_reference |
LIPID_MAPS_instance:LMPK12080012 KEGG:C10421 KNApSAcK:C00002529 Reaxys:7141956 Wikipedia:Glabridin HMDB:HMDB0034188 CAS:59870-68-7 PMID:24361284 PMID:25737160 |
|
| definition |
A member of the class of hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively. |
|
| formula |
C20H20O4 |
|
| has_exact_synonym |
4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-3-yl]benzene-1,3-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| id |
CHEBI:5369 |
|
| in_subset | ||
| inchi |
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 |
|
| inchikey |
LBQIJVLKGVZRIW-ZDUSSCGKSA-N |
|
| label |
glabridin |
|
| mass |
324.37040 |
|
| monoisotopicmass |
324.13616 |
|
| notation |
CHEBI:5369 |
|
| prefLabel |
glabridin |
|
| RO_0000087 | ||
| smiles |
CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c1ccc(O)cc1O |
|
| subClassOf |