Coumabiocin D; 2'''-Deoxy

AlkaPlorer ID: AK293141

Synonym: Coumabiocin C

IUPAC Name: [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: COC1C(OC(=N)O)C(O)C(OC2=CC=C3C(O)=C(NC(=O)C4=CC=C5OC(C)(C)CCC5=C4)C(=O)OC3=C2C)OC1(C)C

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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)

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InChIKey: XHPKFSICBQUAKE-UHFFFAOYSA-N

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Source

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

Metabolism Information