Molecule

(2E)-3-(methylsulfanyl)-N-(2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)prop-2-enamide

AlkaPlorer ID: AK121784

Synonym: None

IUPAC Name: 3-methylsulfanyl-N-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]prop-2-enamide

Structure

SMILES: CSC=CC(O)=NCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI: InChI=1S/C12H21NO7S/c1-21-5-2-8(15)13-3-4-19-12-11(18)10(17)9(16)7(6-14)20-12/h2,5,7,9-12,14,16-18H,3-4,6H2,1H3,(H,13,15)/t7-,9-,10+,11-,12-/m1/s1

InChIKey: FISKBHZVUFLWDZ-DVYMNCLGSA-N

Reference

Medicinal Plants of Thailand. I Structures of Rheedeiosides A-D and cis-Entadamide A .BETA.-D-Glucopyranoside from the Seed Kernels of Entada rheedei

PubChem CID: 162996906

LOTUS: LTS0270110

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Entada rheedei	Entada	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 323.367

TPSA？: 131.97000000000003

MolLogP？: -1.3638999999999992

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi