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Summary Geometry Related PDB entries

9WR

Summary

Name:	[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
Formula:	C22 H21 N O5
Formal charge:	0
Formula weight:	379.406 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone
OpenEye OEToolkits	2.0.6	[6-(4-methyl-3-oxidanyl-phenyl)pyridin-2-yl]-(3,4,5-trimethoxyphenyl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc3cc(C(c1nc(ccc1)c2cc(c(cc2)C)O)=O)cc(c3OC)OC
InChI	InChI	1.03	InChI=1S/C22H21NO5/c1-13-8-9-14(10-18(13)24)16-6-5-7-17(23-16)21(25)15-11-19(26-2)22(28-4)20(12-15)27-3/h5-12,24H,1-4H3
InChIKey	InChI	1.03	BTWMVPMEPRQKQD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(cc(OC)c1OC)C(=O)c2cccc(n2)c3ccc(C)c(O)c3
SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)C(=O)c2cccc(n2)c3ccc(C)c(O)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccc(cc1O)c2cccc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC

218853

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