Molecule

Malyngamide O

AlkaPlorer ID: AK035747

Synonym: None

IUPAC Name: methyl (2E,5Z)-6-chloro-3-methoxy-5-[[[(E,7S)-7-methoxytetradec-4-enoyl]-methylamino]methyl]hexa-2,5-dienoate

Structure

SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)OC)OC)OC

InChI: InChI=1S/C25H42ClNO5/c1-6-7-8-9-11-14-22(30-3)15-12-10-13-16-24(28)27(2)20-21(19-26)17-23(31-4)18-25(29)32-5/h10,12,18-19,22H,6-9,11,13-17,20H2,1-5H3/b12-10+,21-19-,23-18+/t22-/m0/s1

InChIKey: APYMXRPHYRRJTM-ZWUHNMOSSA-N

Reference

Malyngamides O and P from the Sea Hare <i>Stylocheilus longicauda</i>

PubChem CID: 10027764

LOTUS: LTS0009143

SuperNatural Ⅲ: SN0012223-03

NPASS: NPC81195

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Scolopendra subspinipes	Scolopendra	Scolopendridae	Scolopendromorpha	Chilopoda	Arthropoda	Metazoa	Eukaryota
Eunicea flexuosa	Eunicea	Plexauridae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Hebanthe paniculata	Hebanthe	Amaranthaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhamnus triquetra	Rhamnus	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stylocheilus longicauda	Stylocheilus	Aplysiidae	Aplysiida	Gastropoda	Mollusca	Metazoa	Eukaryota
Polyalthia debilis	Polyalthia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium cernuum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 472.0660000000002

TPSA？: 65.07000000000001

MolLogP？: 5.762900000000006

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	IC50	2.0	ug.mL-1	10.1021/np0000365
Homo sapiens	HT-29	IC50	2.0	ug.mL-1	10.1021/np0000365
Mus musculus	P388	IC50	2.0	ug.mL-1	10.1021/np0000365