C17

7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE

Created:	2007-07-13
Last modified:	2011-06-04

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1 entries where C17 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

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Chemical Component Summary
Name	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
Systematic Name (OpenEye OEToolkits)	7-[(3-chlorophenyl)methoxy]-2-oxo-chromene-4-carbaldehyde
Formula	C₁₇ H₁₁ Cl O₄
Molecular Weight	314.72
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(c1)COc3ccc2c(OC(=O)C=C2C=O)c3
SMILES	CACTVS	3.341	Clc1cccc(COc2ccc3c(OC(=O)C=C3C=O)c2)c1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O
Canonical SMILES	CACTVS	3.341	Clc1cccc(COc2ccc3c(OC(=O)C=C3C=O)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O
InChI	InChI	1.03	InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2
InChIKey	InChI	1.03	ZOCADHRNWNJARU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07512
Name	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE
Groups	experimental
Synonyms	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H-CHROMENE-4-CARBALDEHYDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	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