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Summary Geometry Related PDB entries

2SR

Summary

Name:	(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol
Formula:	C23 H26 O5
Formal charge:	0
Formula weight:	382.45 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol
OpenEye OEToolkits	1.7.6	(2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(oxan-4-yl)-2H-chromen-4-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O3c2c(c1ccc(OC)c(OC)c1)cc(cc2C(O)=CC3C4CCOCC4)C
InChI	InChI	1.03	InChI=1S/C23H26O5/c1-14-10-17(16-4-5-20(25-2)22(12-16)26-3)23-18(11-14)19(24)13-21(28-23)15-6-8-27-9-7-15/h4-5,10-13,15,21,24H,6-9H2,1-3H3/t21-/m0/s1
InChIKey	InChI	1.03	RVKGQUJUMMUCKA-NRFANRHFSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1OC)c2cc(C)cc3C(=C[C@H](Oc23)C4CCOCC4)O
SMILES	CACTVS	3.385	COc1ccc(cc1OC)c2cc(C)cc3C(=C[CH](Oc23)C4CCOCC4)O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(c2c(c1)C(=C[C@H](O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(c2c(c1)C(=CC(O2)C3CCOCC3)O)c4ccc(c(c4)OC)OC

222415

건을2024-07-10부터공개중

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