Molecule

Novobiocin

AlkaPlorer ID: AK308250

Synonym: Albamycin, Biotexin, Cardelmycin, Cathocin, Cathomycin, Inamycin, Spheromycin, Streptonivicin, Vulcamycin, PA 93, Antibiotic PA 93, WS 6629, Antibiotic WS 6629, Griseoflavin, Antibiotic S 800, S 800

IUPAC Name: [5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

Structure

SMILES: COC1C(OC(=N)O)C(O)C(OC2=CC=C3C(O)=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C

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)

InChIKey: YJQPYGGHQPGBLI-UHFFFAOYSA-N

Reference

Studies on the Biosynthesis of Terpenoid Compounds Produced by Actinomycetes. 3. Biosynthesis of the Isoprenoid Side Chain of Novobiocin via the Non-mevalonate Pathway in Streptomyces niveus.

PubChem CID: 54678491

CAS: 303-81-1

LOTUS: LTS0008682

COCONUT: CNP0140416.8

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Strychnos nux-vomica	Strychnos	Loganiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Streptomyces griseoflavus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Streptomyces niveus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Streptomyces griseus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 612.6320000000002

TPSA？: 201.0

MolLogP？: 4.041190000000003

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi