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Summary Geometry Related PDB entries

GBJ

Summary

Name:	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Synonyms:	glabridin
Formula:	C20 H20 O4
Formal charge:	0
Formula weight:	324.37 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
OpenEye OEToolkits	1.7.6	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C
InChI	InChI	1.03	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	InChI	1.03	LBQIJVLKGVZRIW-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)Oc2ccc3C[C@@H](COc3c2C=C1)c4ccc(O)cc4O
SMILES	CACTVS	3.385	CC1(C)Oc2ccc3C[CH](COc3c2C=C1)c4ccc(O)cc4O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C
SMILES	OpenEye OEToolkits	1.7.6	CC1(C=Cc2c(ccc3c2OCC(C3)c4ccc(cc4O)O)O1)C

223532

PDB entries from 2024-08-07

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