Molecule

Vertine

AlkaPlorer ID: AK084267

Synonym: None

IUPAC Name: None

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@@H]1C[C@H](C[C@H]3CCCC[NH+]31)OC(=O)/C=C\C1=CC2=C(O)C=C1

InChI: InChI=1S/C26H29NO5/c1-30-24-14-19-20(15-25(24)31-2)22-13-18(12-17-5-3-4-10-27(17)22)32-26(29)9-7-16-6-8-23(28)21(19)11-16/h6-9,11,14-15,17-18,22,28H,3-5,10,12-13H2,1-2H3/p+1/b9-7-/t17-,18+,22+/m1/s1

InChIKey: WCZWUYYJZVBKDZ-VMSBZHFZSA-O

Reference

Lythraceae alkaloids. VIII. Structure and stereochemistry of the biphenyl ether alkaloids from Decodon verticillatus

LOTUS: LTS0237404

SuperNatural Ⅲ: SN0406976-01

NPASS: NPC241704

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Eclipta prostrata	Eclipta	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Musa x paradisiaca	Musa	Musaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artabotrys venustus	Artabotrys	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Catunaregam nilotica	Catunaregam	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Galium glaucum	Galium	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heimia salicifolia	Heimia	Lythraceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lindsaea ensifolia	Lindsaea	Lindsaeaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Pseudowintera axillaris	Pseudowintera	Winteraceae	Canellales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 436.5280000000001

TPSA？: 69.43

MolLogP？: 3.287300000000002

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Plasmodium falciparum	Plasmodium falciparum	IC50	4.76	ug.mL-1	10.1016/j.bmc.2009.02.050