Codonopsinol

AlkaPlorer ID: AK163499

Synonym: '(+)-Codonopsinol'

IUPAC Name: (2S,3S,4R,5S)-2-(3,4-dimethoxyphenyl)-5-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol

Structure

SMILES: COC1=CC=C([C@H]2[C@H](O)[C@H](O)[C@H](CO)N2C)C=C1OC

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InChI: InChI=1S/C14H21NO5/c1-15-9(7-16)13(17)14(18)12(15)8-4-5-10(19-2)11(6-8)20-3/h4-6,9,12-14,16-18H,7H2,1-3H3/t9-,12-,13+,14-/m0/s1

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InChIKey: VGEPCNNJGKDQTM-WTDIUWLJSA-N

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Source

Properties Information

Molecule Weight: 283.324

TPSA: 82.39

MolLogP: -0.2270000000000005

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information