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name Structure Reference Source Properties Activities Metabolism

(2R)-2-hydroxy-N-[(2S,3R,4E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]icosanamide

AlkaPlorer ID: AK024480

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8Z)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]icosanamide

Structure

SMILES: CCCCCCCCC/C=C\CC/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@H](O)CCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22-,32-30+/t36-,37+,38+,39+,40+,41-,42+,44+/m0/s1

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InChIKey: DCBUKXJYPRDHOR-KHIUKKABSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Arisaema amurense Arisaema Araceae Alismatales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 770.145999999999

TPSA？: 172.43

MolLogP？: 8.534700000000008

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Rattus norvegicus Hepatocyte Activity 51.2 % 10.1021/np960201+
Rattus norvegicus Hepatocyte Activity 53.8 % 10.1021/np960201+
Rattus norvegicus PC-12 Activity nan None 10.1021/acs.jnatprod.6b00954
Rattus norvegicus PC-12 EC50 12000.0 nM 10.1021/acs.jnatprod.6b00954
None Unchecked FC 1.89 None 10.1016/j.ejmech.2014.01.007

Metabolism Information