Molecule

Malyngamide I acetate

AlkaPlorer ID: AK036985

Synonym: None

IUPAC Name: [(1S,3R,4R,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]-methylamino]prop-1-en-2-yl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] acetate

Structure

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

InChI: InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1

InChIKey: PBSMCFLXUIGLJN-PMETZGSZSA-N

Reference

Malyngamides M and N from the Hawaiian Red Alga Gracilaria coronopifolia

PubChem CID: 6440420

CAS: 69121-74-0

LOTUS: LTS0025237

SuperNatural Ⅲ: SN0281070-03

NPASS: NPC64895

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NPAtlas: NPA011616

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: 526.1140000000003

TPSA？: 85.44000000000001

MolLogP？: 5.347700000000006

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi