(2S,3R,4R,5S,6R)-2,3-dihydroxy-N-(4-hydroxybutyl)-10,12-dimethoxy-6-(4-methoxyphenyl)-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(8),9,11-triene-4-carboxamide

AlkaPlorer ID: AK253702

Synonym: None

IUPAC Name: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-N-(4-hydroxybutyl)-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide

Structure

SMILES: COC1=CC=C([C@@]23OC4=CC(OC)=CC(OC)=C4[C@]2(O)[C@H](O)[C@H](C(O)=NCCCCO)[C@H]3C2=CC=CC=C2)C=C1

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InChI: InChI=1S/C31H35NO8/c1-37-21-13-11-20(12-14-21)31-26(19-9-5-4-6-10-19)25(29(35)32-15-7-8-16-33)28(34)30(31,36)27-23(39-3)17-22(38-2)18-24(27)40-31/h4-6,9-14,17-18,25-26,28,33-34,36H,7-8,15-16H2,1-3H3,(H,32,35)/t25-,26-,28-,30+,31+/m1/s1

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InChIKey: OEIVNWDEYRBFIV-ZTLBFRGQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aglaia elliptica Aglaia Meliaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 549.6200000000003

TPSA: 130.20000000000002

MolLogP: 3.6914000000000025

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information