Molecule

4-[(3'-O-Acetyl-α-L-rhamnosyloxy) benzyl]isothiocyanate

AlkaPlorer ID: AK011293

Synonym: None

IUPAC Name: [(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxan-4-yl] acetate

Structure

SMILES: CC(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC2=CC=C(CN=C=S)C=C2)[C@@H]1O

InChI: InChI=1S/C16H19NO6S/c1-9-13(19)15(22-10(2)18)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3/t9-,13-,14+,15+,16-/m0/s1

InChIKey: XPDXZQFSZGBCCC-FSDJSFAOSA-N

Reference

Potential anti-inflammatory phenolic glycosides from the medicinal plant Moringa oleifera fruits

PubChem CID: 46932936

LOTUS: LTS0208375

SuperNatural Ⅲ: SN0436249-01

NPASS: NPC97004

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lithothamnion corallioides	Lithothamnion	Hapalidiaceae	Hapalidiales	Florideophyceae	Rhodophyta	None	Eukaryota
Senecio cathcartensis	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Goupia glabra	Goupia	Goupiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Moringa oleifera	Moringa	Moringaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fusarium sacchari	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Laggera alata	Laggera	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Petteria ramentacea	Petteria	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monopteryx uaucu	Monopteryx	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Excoecaria acerifolia	Excoecaria	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mesua ferrea	Mesua	Calophyllaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Garrya laurifolia	Garrya	Garryaceae	Garryales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sequoia sempervirens	Sequoia	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Onobrychis bobrovii	Onobrychis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fusarium avenaceum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Medinilla magnifica	Medinilla	Melastomataceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 353.396

TPSA？: 97.58

MolLogP？: 1.0664999999999998

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	RAW264.7	Activity	nan	None	10.1016/j.bmc.2010.03.057
Mus musculus	RAW264.7	IC50	2660.0	nM	10.1016/j.bmc.2010.03.057