noracalyphin

AlkaPlorer ID: AK172269

Synonym: 'epinoracalyphin'

IUPAC Name: (2S,3R)-2-hydroxy-4-methoxy-6-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2-dihydropyridine-3-carbonitrile

Structure

SMILES: COC1=CC(O)=N[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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InChI: InChI=1S/C13H18N2O9/c1-22-6-2-7(17)15-12(21)13(6,4-14)24-11-10(20)9(19)8(18)5(3-16)23-11/h2,5,8-12,16,18-21H,3H2,1H3,(H,15,17)/t5-,8-,9+,10-,11+,12+,13-/m1/s1

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InChIKey: WUVMCCRKWLRPJP-OKZVCGLCSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Acalypha indica Acalypha Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 346.29200000000003

TPSA: 185.22

MolLogP: -3.1159199999999987

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information