Xiamenmycin D

AlkaPlorer ID: AK032365

Synonym: None

IUPAC Name: methyl (2S,3R)-3-hydroxy-2-[[(2R,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoate

Structure

SMILES: COC(=O)[C@@H](N=C(O)C1=CC=C2O[C@](C)(CCC=C(C)C)[C@@H](O)CC2=C1)[C@@H](C)O

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InChI: InChI=1S/C22H31NO6/c1-13(2)7-6-10-22(4)18(25)12-16-11-15(8-9-17(16)29-22)20(26)23-19(14(3)24)21(27)28-5/h7-9,11,14,18-19,24-25H,6,10,12H2,1-5H3,(H,23,26)/t14-,18+,19+,22-/m1/s1

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InChIKey: XUZVOJITPJGHEG-LJRRSDMTSA-N

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Properties Information

Molecule Weight: 405.49100000000016

TPSA: 108.58

MolLogP: 2.714500000000001

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information