Coumabiocin A; 3'''-Deoxy

AlkaPlorer ID: AK293139

Synonym: Coumabiocin B

IUPAC Name: [5-hydroxy-6-[4-hydroxy-8-methyl-2-oxo-3-[(2-propan-2-yl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]chromen-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)CC5=C4)C(=O)OC3=C2C)OC1(C)C

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

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InChIKey: YNRLZXZXAKJHIR-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 612.6320000000002

TPSA: 193.49

MolLogP: 4.170390000000003

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