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name Structure Reference Source Properties Activities Metabolism

(2S,4E)-2-hydroxy-N-[(2S,3S,5E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}undec-5-en-2-yl]-2-methyldec-4-enamide

AlkaPlorer ID: AK240614

Synonym: None

IUPAC Name: (E,2S)-2-hydroxy-N-[(E,2S,3S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyundec-5-en-2-yl]-2-methyldec-4-enamide

Structure

SMILES: CCCCC/C=C/C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@@](C)(O)C/C=C/CCCCC

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InChI: InChI=1S/C28H51NO9/c1-4-6-8-10-12-14-16-21(31)20(19-37-26-25(34)24(33)23(32)22(18-30)38-26)29-27(35)28(3,36)17-15-13-11-9-7-5-2/h12-15,20-26,30-34,36H,4-11,16-19H2,1-3H3,(H,29,35)/b14-12+,15-13+/t20-,21-,22+,23+,24-,25+,26+,28-/m0/s1

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InChIKey: BIKDUZIBFQKKLW-JFGJKXTRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Panax japonicus Panax Araliaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 545.714

TPSA？: 172.43

MolLogP？: 2.2931

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information