Molecule

Cocsuline

AlkaPlorer ID: AK017035

Synonym: None

IUPAC Name: (8S,21S)-27-methoxy-7,22-dimethyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol

Structure

SMILES: COC1=CC2=C3C4=C1OC1=C(C=C5C(=C1)CCN(C)[C@H]5CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2)O4

InChI: InChI=1S/C35H34N2O5/c1-36-12-10-22-17-30-31-19-25(22)26(36)15-21-6-9-28(38)29(16-21)40-24-7-4-20(5-8-24)14-27-33-23(11-13-37(27)2)18-32(39-3)34(41-30)35(33)42-31/h4-9,16-19,26-27,38H,10-15H2,1-3H3/t26-,27-/m0/s1

InChIKey: GOYCVNCWKXBQBF-SVBPBHIXSA-N

Reference

(+)-Angchibangkine, a New Type of Bisbenzylisoquinoline Alkaloid, and Other Dimers from <i>Pachygone dasycarpa</i>

PubChem CID: 21579625

LOTUS: LTS0257584

SuperNatural Ⅲ: SN0111533-01

NPASS: NPC274716

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cercidiphyllum japonicum	Cercidiphyllum	Cercidiphyllaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diplocarpon mali	Diplocarpon	Drepanopezizaceae	Helotiales	Leotiomycetes	Ascomycota	Fungi	Eukaryota
Pachygone dasycarpa	Pachygone	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Rhizopogon roseolus	Rhizopogon	Rhizopogonaceae	Boletales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Solanum lasiocarpum	Solanum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythrina mildbraedii	Erythrina	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caulerpa taxifolia	Caulerpa	Caulerpaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota
Meiothermus ruber	Meiothermus	Thermaceae	Thermales	Deinococci	Deinococcota	None	Bacteria
Phoenix dactylifera	Phoenix	Arecaceae	Arecales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sophora tetraptera	Sophora	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aglaia odorata	Aglaia	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 562.6660000000002

TPSA？: 63.63000000000001

MolLogP？: 6.947900000000009

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 9

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Entamoeba histolytica	Entamoeba histolytica	IC50	13.21	ug.mL-1	10.1007/s00044-011-9767-1
Homo sapiens	KB	ED50	10000.0	nM	10.1021/np980144f
Plasmodium falciparum	Plasmodium falciparum	IC50	15.56	ug.mL-1	10.1021/np50075a001
Plasmodium falciparum	Plasmodium falciparum	IC50	87.0	nM	10.1021/np980144f
Plasmodium falciparum	Plasmodium falciparum	IC50	502.0	nM	10.1021/np980144f
None	Unchecked	Selectivity Index	7.0	None	10.1021/np980144f
None	Unchecked	Selectivity Index	110.0	None	10.1021/np980144f