Molecule

Coumabiocin C

AlkaPlorer ID: AK000763

Synonym: None

IUPAC Name: [(3R,4S,5R,6R)-6-[3-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-5-hydroxy-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=C5OC(C)(C)CCC5=C4)C(=O)OC3=C2C)OC1(C)C

InChI: InChI=1S/C31H36N2O11/c1-14-18(40-28-22(35)24(42-29(32)38)25(39-6)31(4,5)44-28)10-8-17-21(34)20(27(37)41-23(14)17)33-26(36)16-7-9-19-15(13-16)11-12-30(2,3)43-19/h7-10,13,22,24-25,28,34-35H,11-12H2,1-6H3,(H2,32,38)(H,33,36)/t22-,24+,25-,28-/m1/s1

InChIKey: XHPKFSICBQUAKE-BOFKSZNZSA-N

Reference

Coumabiocins A−F, Aminocoumarins from an Organic Extract of <i>Streptomyces</i> sp. L-4-4

PubChem CID: 54734319

LOTUS: LTS0261711

SuperNatural Ⅲ: SN0430449-01

NPASS: NPC153365

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NPAtlas: NPA018762

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sp. L-4-4	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 612.6320000000002

TPSA？: 190.0

MolLogP？: 3.9304900000000025

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Streptomyces	Streptomyces	IZ	10.0	mm	10.1021/np900843b
Streptomyces	Streptomyces	IZ	15.0	mm	10.1021/np900843b
Streptomyces	Streptomyces	IZ	nan	None	10.1021/np900843b