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Summary Geometry Related PDB entries

SAK

Summary

Name:	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
Synonyms:	sakuranetin
Formula:	C16 H14 O5
Formal charge:	0
Formula weight:	286.279 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one
OpenEye OEToolkits	1.5.0	(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
SMILES_CANONICAL	CACTVS	3.341	COc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccc(O)cc3
SMILES	CACTVS	3.341	COc1cc(O)c2C(=O)C[CH](Oc2c1)c3ccc(O)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O
SMILES	OpenEye OEToolkits	1.5.0	COc1cc(c2c(c1)OC(CC2=O)c3ccc(cc3)O)O
InChI	InChI	1.03	InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey	InChI	1.03	DJOJDHGQRNZXQQ-AWEZNQCLSA-N

218853

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