Molecule

N-{[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dien-1-yl]-3-hydroxy-5-methyloxan-2-yl]methyl}acetamide

AlkaPlorer ID: AK521219

Synonym: None

IUPAC Name: N-[[6-(4,5-dimethyl-7-oxohepta-3,5-dienyl)-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide

SMILES: CC(=CC=O)C(C)=CCCC1OC(CN=C(C)O)C(O)CC1C

InChI: InChI=1S/C18H29NO4/c1-12(13(2)8-9-20)6-5-7-17-14(3)10-16(22)18(23-17)11-19-15(4)21/h6,8-9,14,16-18,22H,5,7,10-11H2,1-4H3,(H,19,21)

InChIKey: SFLJQCLAPBTFNR-UHFFFAOYSA-N

PubChem CID: 74403986

CAS: 1040744-45-3

LOTUS: LTS0022119

COCONUT: CNP0399328.2

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Karenia brevis	Karenia	Kareniaceae	Gymnodiniales	Dinophyceae	None	None	Eukaryota
Karenia brevis	Karenia	Kareniaceae	Gymnodiniales	Dinophyceae	None	None	Eukaryota

Molecule Weight: 323.43300000000005

TPSA？: 79.12

MolLogP？: 2.9890000000000008

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi