HBO

2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE

Created:	2000-07-12
Last modified:	2011-06-04

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3 entries where HBO is found as a standalone ligand2 entries where HBO is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

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Chemical Component Summary
Name	2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
Systematic Name (OpenEye OEToolkits)	(2R)-2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one
Formula	C₉ H₉ N O₅
Molecular Weight	211.171
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(O)c2c(OC1O)cc(OC)cc2
SMILES	CACTVS	3.341	COc1ccc2N(O)C(=O)[CH](O)Oc2c1
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c(c1)OC(C(=O)N2O)O
Canonical SMILES	CACTVS	3.341	COc1ccc2N(O)C(=O)[C@H](O)Oc2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc2c(c1)O[C@H](C(=O)N2O)O
InChI	InChI	1.03	InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1
InChIKey	InChI	1.03	GDNZNIJPBQATCZ-SECBINFHSA-N

Drug Info: DrugBank

DrugBank ID	DB02185
Name	2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One
Groups	experimental
Synonyms	2,4-Dihydroxy-7-(Methyloxy)-2h-1,4-Benzoxazin-3(4h)-One

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Lactase-like protein	MKPVWVATLLWMLLLVPRLGAARKGSPEEASFYYGTFPLGFSWGVGSSAY...	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