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Lotaustralin

AlkaPlorer ID: AK018419

Synonym: '(R)-Lotaustralin', 'Lotaustralin'

IUPAC Name: 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile

Structure

SMILES: CCC(C)(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/C11H19NO6/c1-3-11(2,5-12)18-10-9(16)8(15)7(14)6(4-13)17-10/h6-10,13-16H,3-4H2,1-2H3/t6-,7-,8+,9-,10+,11?/m1/s1

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InChIKey: WEWBWVMTOYUPHH-GXUZYPEDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Rhodiola rosea Rhodiola Crassulaceae Saxifragales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 261.274

TPSA？: 123.17000000000002

MolLogP？: -1.5048200000000007

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT007209 CCC(C)(O)C#N.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCC(C)(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O enzymemap_37670