Molecule

Novobiocin

AlkaPlorer ID: AK015984

Synonym: None

IUPAC Name: [(3R,4R,5S,6R)-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: CO[C@@H]1[C@H](OC(=N)O)[C@H](O)[C@H](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)/t23-,25+,26+,29+/m0/s1

InChIKey: YJQPYGGHQPGBLI-ONJQCEQUSA-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: 124364481

LOTUS: LTS0083731

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NPAtlas: NPA020579

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Niveus	Allogromiidae	None	None	Foraminifera	None	Eukaryota

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