ZZ1

4-METHYL-2H-CHROMEN-2-ONE

Created:	2006-03-24
Last modified:	2020-06-05

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4 entries where ZZ1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	11

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Chemical Component Summary
Name	4-METHYL-2H-CHROMEN-2-ONE
Synonyms	4-METHYLUMBELLIFERYL
Systematic Name (OpenEye OEToolkits)	4-methylchromen-2-one
Formula	C₁₀ H₈ O₂
Molecular Weight	160.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Oc1ccccc1C(=C2)C
SMILES	CACTVS	3.341	CC1=CC(=O)Oc2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	CC1=CC(=O)Oc2c1cccc2
Canonical SMILES	CACTVS	3.341	CC1=CC(=O)Oc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CC(=O)Oc2c1cccc2
InChI	InChI	1.03	InChI=1S/C10H8O2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1H3
InChIKey	InChI	1.03	PSGQCCSGKGJLRL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08785
Name	4-Methylcoumarin
Groups	experimental
Synonyms	4-Methylcoumarin 4-Methyl-2H-1-benzopyran-2-one
CAS number	607-71-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Endoglucanase H	MKKRLLVSFLVLSIIVGLLSFQSLGNYNSGLKIGAWVGTQPSESAIKSFQ...	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