The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

novobiocin
Synonyms

C31H36N2O11

(3R,4S,5R,6R)-5-hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl carbamate

ID

http://purl.obolibrary.org/obo/dinto_DB01051

binds

http://purl.obolibrary.org/obo/dinto_1975

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_3090

http://purl.obolibrary.org/obo/dinto_4301

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_0520

CASRN

303-81-1

DBBrand

cathomycin

cardelmycin

inamycin

sirbiocina

spheromycin

stilbiocina

novo-r

albamix

streptonivicin

albamycin

cathocin

robiocina

DBSynonym

novobiocina [inn-spanish]

novobiocine [inn-french]

nov

crystallinic acid

novobiocinum [inn-latin]

antibiotic pa-93

Definition

An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem]

has pharmacological target

http://purl.obolibrary.org/obo/dinto_3090

InChI

InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1

InChIKey

InChIKey=YJQPYGGHQPGBLI-KGSXXDOSSA-N

inhibits

http://purl.obolibrary.org/obo/dinto_1975

http://purl.obolibrary.org/obo/dinto_0883

http://purl.obolibrary.org/obo/dinto_3090

http://purl.obolibrary.org/obo/dinto_4301

http://purl.obolibrary.org/obo/dinto_3489

http://purl.obolibrary.org/obo/dinto_0520

label

novobiocin

prefixIRI

obo2:dinto_DB01051

prefLabel

novobiocin

SMILES

CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C

Synonym

C31H36N2O11

(3R,4S,5R,6R)-5-hydroxy-6-[(4-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzene]amido}-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyloxan-4-yl carbamate

xref

PubChem Compound:9346

PDB:NOV

BindingDB:282

PubChem Substance:46507250

ChemSpider:8981

Wikipedia:http://en.wikipedia.org/wiki/Novobiocin

PharmGKB:PA164768819

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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Mapping To Ontology Source
http://purl.obolibrary.org/obo/ARO_3000111 ARO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 DRON LOOM
http://purl.bioontology.org/ontology/VANDF/4019861 VANDF LOOM
http://purl.obolibrary.org/obo/MESH_D009675 BERO LOOM
http://purl.obolibrary.org/obo/OMIT_0010694 OMIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.438.150.446.139.500 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#8792 OCHV LOOM
http://purl.bioontology.org/ontology/SNMI/C-52260 SNMI LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D09.408.554 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/90220005 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU007486 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/7538 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.830.219.446.139.500 RH-MESH LOOM
http://purl.bioontology.org/ontology/MESH/D009675 MESH LOOM
http://purl.obolibrary.org/obo/UPa_UPC05080 UPA LOOM
http://purl.bioontology.org/ontology/CSP/0203-4078 CRISP LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147947 NDFRT LOOM
http://purl.obolibrary.org/obo/NCIT_C705 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 DDSS LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 UPHENO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 NIFSTD LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 PHIPO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 MCO LOOM
http://purl.obolibrary.org/obo/CHEBI_28368 EFO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D009675 RH-MESH LOOM
http://www.phoc.org.cn/pmo/class/PMO_00017669 PMAPP-PMO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0028458 OCHV LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000039195 PDQ LOOM
https://go.drugbank.com/drugs/DB01051 MDM LOOM
http://purl.bioontology.org/ontology/NDDF/002761 NDDF LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C705 NCIT LOOM
http://purl.jp/bio/4/id/200906073421967354 IOBC LOOM
http://purl.bioontology.org/ontology/LNC/LP16168-4 LOINC LOOM
http://stirdf.jst.go.jp/id/200907058571761660 IOBC LOOM