Molecule

Oxazinin-1

AlkaPlorer ID: AK171372

Synonym: 'Oxazinine 1', 'Oxazinin 1'

IUPAC Name: (2R,5S,6S)-5-(hydroxymethyl)-2-(1H-indol-3-yl)-6-(4-propoxyphenyl)morpholin-3-one

Structure

SMILES: CCCOC1=CC=C([C@@H]2O[C@H](C3=CNC4=CC=CC=C34)C(O)=N[C@H]2CO)C=C1

InChI: InChI=1S/C22H24N2O4/c1-2-11-27-15-9-7-14(8-10-15)20-19(13-25)24-22(26)21(28-20)17-12-23-18-6-4-3-5-16(17)18/h3-10,12,19-21,23,25H,2,11,13H2,1H3,(H,24,26)/t19-,20-,21+/m0/s1

InChIKey: OGAWCPDFNFONNX-PCCBWWKXSA-N

Reference

Oxazinin-1, -2 and -3 − A Novel Toxic Compound and Its Analogues from the Digestive Glands ofMytilus galloprovincialis

PubChem CID: 163105349

LOTUS: LTS0269656

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Mytilus galloprovincialis	Mytilus	Mytilidae	Mytilida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 380.4440000000001

TPSA？: 87.07000000000001

MolLogP？: 4.086700000000002

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi