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Summary Geometry Related PDB entries

EE6

Summary

Name:	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
Formula:	C27 H28 O5
Formal charge:	0
Formula weight:	432.508 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3
InChIKey	InChI	1.03	LFDYHAWYVIBCDT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)=CCc1cc(ccc1O)\C=C/2OC(=O)C(=C/2O)c3ccc(O)c(CC=C(C)C)c3
SMILES	CACTVS	3.385	CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)O)C

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