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

AlkaPlorer ID: AK230064

Synonym: None

IUPAC Name: (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N-[(2R)-oxolan-2-yl]-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)=N[C@H]2CCCO2)[C@H]3C2=CC=CC=C2)C=C1

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InChI: InChI=1S/C31H33NO8/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25(29(34)32-24-10-7-15-39-24)28(33)30(31,35)27-22(38-3)16-21(37-2)17-23(27)40-31/h4-6,8-9,11-14,16-17,24-26,28,33,35H,7,10,15H2,1-3H3,(H,32,34)/t24-,25-,26-,28-,30+,31+/m1/s1

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InChIKey: HXVLIDJYCOONBY-GNBUDUDOSA-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: 547.6040000000003

TPSA: 119.20000000000002

MolLogP: 4.055400000000002

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information