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Palicoside

AlkaPlorer ID: AK008355

Synonym: ''

IUPAC Name: (2S,3R,4S)-3-ethenyl-4-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-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]1C2=C(CCN1C)C1=CC=CC=C1N2

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InChI: InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-29(19)2)14-6-4-5-7-18(14)28-21)17(25(34)35)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-28,30-33H,1,8-11H2,2H3,(H,34,35)/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1

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InChIKey: AZBVCHVFXBXKII-NTXHKPOFSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Strychnos mellodora Strychnos Loganiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 530.5740000000003

TPSA？: 164.94

MolLogP？: 0.6467000000000012

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001900 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]1c2[nH]c3ccccc3c2CCN1C>>C=C[C@H]1C(O)OC=C(C(=O)O)[C@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C enzymemap_58692
AKRT001901 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]1c2[nH]c3ccccc3c2CCN1C>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_58692