Molecule

brevisamide

AlkaPlorer ID: AK085861

Synonym: '', 'Brevisamide'

IUPAC Name: N-[[(2S,3R,5R,6R)-6-[(3E,5E)-4,5-dimethyl-7-oxohepta-3,5-dienyl]-3-hydroxy-5-methyloxan-2-yl]methyl]acetamide

Structure

SMILES: CC(O)=NC[C@@H]1O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@H]1O

InChI: InChI=1S/C18H29NO4/c1-12(13(2)8-9-20)6-5-7-17-14(3)10-16(22)18(23-17)11-19-15(4)21/h6,8-9,14,16-18,22H,5,7,10-11H2,1-4H3,(H,19,21)/b12-6+,13-8+/t14-,16-,17-,18+/m1/s1

InChIKey: SFLJQCLAPBTFNR-CSVGCSNTSA-N

Reference

Brevisamide: An Unprecedented Monocyclic Ether Alkaloid from the Dinoflagellate <i>Karenia brevis</i> That Provides a Potential Model for Ladder-Frame Initiation

PubChem CID: 53392810

LOTUS: LTS0099812

SuperNatural Ⅲ: SN0344036-02

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Karenia brevis	Karenia	Kareniaceae	Gymnodiniales	Dinophyceae	None	None	Eukaryota
Karenia brevis	Karenia	Kareniaceae	Gymnodiniales	Dinophyceae	None	None	Eukaryota

Properties Information

Molecule Weight: 323.43300000000005

TPSA？: 79.12

MolLogP？: 2.989000000000002

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi