Obscurolide A1

AlkaPlorer ID: AK022242

Synonym: '', 'Obscurolide A1'

IUPAC Name: 4-[[(2S,3R)-2-[(Z,3R)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid

Structure

SMILES: C[C@@H](O)/C=C\[C@@H]1OC(=O)C[C@H]1NC1=CC=C(C(=O)O)C=C1

copy

InChI: InChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2-/t9-,12-,13+/m1/s1

copy

InChIKey: IZSWILLJDXDGDJ-QRJVTWQQSA-N

copy

Properties Information

Molecule Weight: 291.303

TPSA: 95.86

MolLogP: 1.4178

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information