Obscurolide A4

AlkaPlorer ID: AK014012

Synonym: '', 'Obscurolide A4'

IUPAC Name: (4S,5R)-5-[(E,3S)-3-hydroxybut-1-enyl]-4-[4-(methoxymethyl)anilino]oxolan-2-one

Structure

SMILES: COCC1=CC=C(N[C@H]2CC(=O)O[C@@H]2/C=C/[C@H](C)O)C=C1

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InChI: InChI=1S/C16H21NO4/c1-11(18)3-8-15-14(9-16(19)21-15)17-13-6-4-12(5-7-13)10-20-2/h3-8,11,14-15,17-18H,9-10H2,1-2H3/b8-3+/t11-,14-,15+/m0/s1

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InChIKey: HYRHDNDBYPEHPQ-JWCOTYKISA-N

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Properties Information

Molecule Weight: 291.347

TPSA: 67.79

MolLogP: 1.866

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information