Molecule

None

AlkaPlorer ID: AK323213

Synonym: None

IUPAC Name: methyl (2S)-2-[[(Z)-3-hydroxyhexadec-9-enoyl]amino]propanoate

Structure

SMILES: CCCCCC/C=C\CCCCCC(O)CC(O)=N[C@@H](C)C(=O)OC

InChI: InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17(2)20(24)25-3/h9-10,17-18,22H,4-8,11-16H2,1-3H3,(H,21,23)/b10-9-/t17-,18?/m0/s1

InChIKey: ZPPOXVDQLJMPLN-JHHNBRACSA-N

Reference

Mass spectrometry of bisbenzylisoquinoline alkaloids. Part I. Alkaloids derived from coclaurine units joined tail-to-tail

PubChem CID: 145955241

NPASS: NPC481039

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 355.51900000000006

TPSA？: 79.12

MolLogP？: 4.732500000000004

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	Bacillus subtilis	MIC	128.0	ug.mL-1	10.1021/acs.jnatprod.7b00757
Escherichia coli	Escherichia coli	MIC	16.0	ug.mL-1	10.1021/acs.jnatprod.7b00757
Micrococcus luteus	Micrococcus luteus	MIC	8.0	ug.mL-1	10.1021/acs.jnatprod.7b00757
Staphylococcus carnosus	Staphylococcus carnosus	MIC	16.0	ug.mL-1	10.1021/acs.jnatprod.7b00757