Molecule

Malyngamide N

AlkaPlorer ID: AK079823

Synonym: None

IUPAC Name: (E,7S)-N-[(Z)-3-chloro-2-[(1S,6S)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide

Structure

SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1CC=C(C)C2=O)OC

InChI: InChI=1S/C26H40ClNO4/c1-5-6-7-8-10-13-22(31-4)14-11-9-12-15-24(29)28(3)19-21(18-27)26-23(32-26)17-16-20(2)25(26)30/h9,11,16,18,22-23H,5-8,10,12-15,17,19H2,1-4H3/b11-9+,21-18-/t22-,23-,26-/m0/s1

InChIKey: NTWGVTHKTLNPTB-SERKONDUSA-N

Reference

Malyngamides M and N from the Hawaiian Red Alga Gracilaria coronopifolia

PubChem CID: 10528184

LOTUS: LTS0041511

SuperNatural Ⅲ: SN0255128-03

NPASS: NPC21324

{

NPAtlas: NPA013464

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cinnamomum camphora	Cinnamomum	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Iris clarkei	Iris	Iridaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dickeya zeae	Dickeya	Pectobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Gracilaria coronopifolia	Gracilaria	Gracilariaceae	Gracilariales	Florideophyceae	Rhodophyta	None	Eukaryota

Properties Information

Molecule Weight: 466.0620000000002

TPSA？: 59.14

MolLogP？: 5.726200000000007

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	ADMET	IC50	12000.0	nM	10.1021/np000037x
None	NON-PROTEIN TARGET	IC50	12000.0	nM	10.1021/np970423n