U03

4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where U03 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE
Systematic Name (OpenEye OEToolkits)	4-hydroxy-7-methoxy-3-(1-phenylpropyl)chromen-2-one
Formula	C₁₉ H₁₈ O₄
Molecular Weight	310.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Oc1cc(OC)ccc1C(O)=C2C(c3ccccc3)CC
SMILES	CACTVS	3.341	CC[CH](c1ccccc1)C2=C(O)c3ccc(OC)cc3OC2=O
SMILES	OpenEye OEToolkits	1.5.0	CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O
Canonical SMILES	CACTVS	3.341	CC[C@@H](c1ccccc1)C2=C(O)c3ccc(OC)cc3OC2=O
Canonical 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

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08663
Name	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE
Groups	experimental
Synonyms	4-HYDROXY-7-METHOXY-3-(1-PHENYL-PROPYL)-CHROMEN-2-ONE

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARNSVLRGKKADELERIRLRPGGKKKYRLKHIVWAANKLDRFGLAESL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682