Obscurolide A3

AlkaPlorer ID: AK014163

Synonym: '', 'Obscurolide A3'

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

Structure

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

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InChI: InChI=1S/C15H19NO4/c1-10(18)2-7-14-13(8-15(19)20-14)16-12-5-3-11(9-17)4-6-12/h2-7,10,13-14,16-18H,8-9H2,1H3/b7-2-/t10-,13-,14+/m0/s1

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InChIKey: SNVFXNDFGJQWAO-KYNWDQPMSA-N

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Properties Information

Molecule Weight: 277.32

TPSA: 78.79

MolLogP: 1.2119

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