novobiocic acid (CHEBI:31923)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	novobiocic acid

ChEBI ID	CHEBI:31923

Definition	A hydroxycoumarin that is the aglycone of novobiocin.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB21387988, ZINC000006090922

Download	Molfile XML SDF

Formula

C22H21NO6

Net Charge

Average Mass

395.40520

Monoisotopic Mass

395.13689

InChI

InChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)

InChIKey

NMCFFEJWADWZTI-UHFFFAOYSA-N

SMILES

CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	novobiocic acid (CHEBI:31923) has role metabolite (CHEBI:25212) novobiocic acid (CHEBI:31923) is a benzamides (CHEBI:22702) novobiocic acid (CHEBI:31923) is a hydroxycoumarin (CHEBI:37912) novobiocic acid (CHEBI:31923) is a polyphenol (CHEBI:26195) novobiocic acid (CHEBI:31923) is conjugate acid of novobiocic acid(1−) (CHEBI:73953)

Incoming	novobiocic acid(1−) (CHEBI:73953) is conjugate base of novobiocic acid (CHEBI:31923)

IUPAC Name

N-(4,7-dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide

Synonyms	Sources
N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide	ChemIDplus
Novobiocic acid	KEGG COMPOUND

Last Modified

06 June 2013