Molecule

Xylopinine

AlkaPlorer ID: AK002811

Synonym: None

IUPAC Name: (13aS)-2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(OC)C=C2CN3CCC4=C(C=C(OC)C(OC)=C4)[C@@H]3CC2=C1

InChI: InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3/t17-/m0/s1

InChIKey: YOAUKNYXWBTMMF-KRWDZBQOSA-N

PubChem CID: 226520

CAS: 523-02-4

LOTUS: LTS0018531

SuperNatural Ⅲ: SN0455660-02

NPASS: NPC136860

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fibraurea recisa	Fibraurea	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania rotunda	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis yanhusuo	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Grevillea hilliana	Grevillea	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania pierrei	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona reticulata	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis ternata	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Micromelum ceylanicum	Micromelum	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corydalis turtschaninovii	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Stephania viridiflavens	Stephania	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 355.4340000000001

TPSA？: 40.16

MolLogP？: 3.376500000000002

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Plasmodium falciparum	Plasmodium falciparum	ED50	10000.0	ng/ml	10.1021/np50099a005
Plasmodium falciparum	Plasmodium falciparum	IC50	52300.0	nM	10.1016/j.bmc.2009.02.050