11-O-(3'-hydroxybutanoyl)hamayne

AlkaPlorer ID: AK139177

Synonym: None

IUPAC Name: [(1S,13S,15R,18R)-15-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] (3S)-3-hydroxybutanoate

Structure

SMILES: C[C@H](O)CC(=O)O[C@H]1CN2CC3=CC4=C(C=C3[C@]13C=C[C@H](O)C[C@H]23)OCO4

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InChI: InChI=1S/C20H23NO6/c1-11(22)4-19(24)27-18-9-21-8-12-5-15-16(26-10-25-15)7-14(12)20(18)3-2-13(23)6-17(20)21/h2-3,5,7,11,13,17-18,22-23H,4,6,8-10H2,1H3/t11-,13-,17-,18-,20-/m0/s1

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InChIKey: IDBLRTJXYSJNAB-ADGKLHOASA-N

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Source

Properties Information

Molecule Weight: 373.4050000000001

TPSA: 88.46000000000001

MolLogP: 0.8543999999999994

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information