Molecule

Benjaminamide

AlkaPlorer ID: AK043244

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(E,2S,3S,4R)-1,3,4-trihydroxyoctadec-12-en-2-yl]tetracosanamide

Structure

SMILES: CCCCC/C=C/CCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCC

InChI: InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h12,14,38-41,44-47H,3-11,13,15-37H2,1-2H3,(H,43,48)/b14-12+/t38-,39+,40+,41-/m0/s1

InChIKey: SOZSUYGVBDXLLZ-HSMPPUOJSA-N

Reference

Isoflavone Dimers and Other Bioactive Constituents from the Figs of <i>Ficus mucuso</i>

PubChem CID: 56662789

LOTUS: LTS0262939

NPASS: NPC264417

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ficus mucuso	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Convolvulus scammonia	Convolvulus	Convolvulaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 682.1279999999996

TPSA？: 113.51

MolLogP？: 11.465699999999991

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Plasmodium falciparum	Enoyl-acyl-carrier protein reductase	Inhibition	nan	%	10.1021/np100896w
None	Unchecked	IC50	nan	None	10.1021/np100896w
None	Unchecked	Inhibition	1.7	%	10.1021/np100896w