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name Structure Reference Source Properties Activities Metabolism

(4S,5R,6S)-4-{[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylic acid

AlkaPlorer ID: AK253022

Synonym: None

IUPAC Name: (2S,3R,4S)-4-[[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid

Structure

SMILES: C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@@H]1NCCC2=C1C=C(OC)C(OC)=C2

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InChI: InChI=1S/C26H35NO11/c1-4-13-15(8-17-14-9-19(35-3)18(34-2)7-12(14)5-6-27-17)16(24(32)33)11-36-25(13)38-26-23(31)22(30)21(29)20(10-28)37-26/h4,7,9,11,13,15,17,20-23,25-31H,1,5-6,8,10H2,2-3H3,(H,32,33)/t13-,15+,17+,20-,21-,22+,23-,25+,26+/m1/s1

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InChIKey: BTFMYVDAWDKTHJ-QIAPLWSDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Alangium longiflorum Alangium Cornaceae Cornales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 537.5620000000004

TPSA？: 176.39999999999998

MolLogP？: -0.1595999999999979

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information