Coumabiocin D

AlkaPlorer ID: AK293140

Synonym: None

IUPAC Name: [5-hydroxy-6-[4-hydroxy-3-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)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(N=C(O)C4=CC=C5OC(C)(C)C(O)CC5=C4)C(=O)OC3=C2C)OC1(C)C

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InChI: InChI=1S/C31H36N2O12/c1-13-17(41-28-22(36)24(43-29(32)39)25(40-6)31(4,5)45-28)10-8-16-21(35)20(27(38)42-23(13)16)33-26(37)14-7-9-18-15(11-14)12-19(34)30(2,3)44-18/h7-11,19,22,24-25,28,34-36H,12H2,1-6H3,(H2,32,39)(H,33,37)

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InChIKey: VIANIJJKWWIRQS-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 628.6310000000002

TPSA: 213.72

MolLogP: 3.2852900000000016

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information