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Summary Geometry Related PDB entries

U03

Summary

Name:	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE
Formula:	C19 H18 O4
Formal charge:	0
Formula weight:	310.344 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-hydroxy-7-methoxy-3-[(1S)-1-phenylpropyl]-2H-chromen-2-one
OpenEye OEToolkits	1.5.0	4-hydroxy-7-methoxy-3-(1-phenylpropyl)chromen-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Oc1cc(OC)ccc1C(O)=C2C(c3ccccc3)CC
SMILES_CANONICAL	CACTVS	3.341	CC[C@@H](c1ccccc1)C2=C(O)c3ccc(OC)cc3OC2=O
SMILES	CACTVS	3.341	CC[CH](c1ccccc1)C2=C(O)c3ccc(OC)cc3OC2=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O
SMILES	OpenEye OEToolkits	1.5.0	CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O
InChI	InChI	1.03	InChI=1S/C19H18O4/c1-3-14(12-7-5-4-6-8-12)17-18(20)15-10-9-13(22-2)11-16(15)23-19(17)21/h4-11,14,20H,3H2,1-2H3/t14-/m0/s1
InChIKey	InChI	1.03	CCPGCKQLIHGSCJ-AWEZNQCLSA-N

250059

PDB entries from 2026-03-04

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