Molecule

kopsinine

AlkaPlorer ID: AK001738

Synonym: '16-Epikopsinine', '', '(-)-Kopsinine', 'Kopsinine', 'Aspidofractinine-3-carboxylic acid, methyl ester,(2alpha,3beta,5alpha)-', '2,21-cycloaspidospermidine-3-carboxylic acid, methyl ester, (3beta,5alpha,12beta,19alpha)-'

IUPAC Name: methyl (1R,9R,16R,18S,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

Structure

SMILES: COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(C6=CC=CC=C6N[C@]15CC2)[C@@H]43

InChI: InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18+,19-,20-,21-/m1/s1

InChIKey: IYLRRIUNGGQRTN-DDVIMMDMSA-N

Reference

Leuconoxine, Kopsinitarine, Kopsijasmine, and Kopsinone Derivatives from <i>Kopsia</i>

PubChem CID: 7069832

LOTUS: LTS0001120

SuperNatural Ⅲ: SN0158709-01

NPASS: NPC99632

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Senecio halimifolius	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Prismatomeris sessiliflora	Prismatomeris	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces albospinus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Coleus xanthanthus	Coleus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lethariella sernanderi	Lethariella	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Artemisia cana	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callitris rhomboidea	Callitris	Cupressaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Kopsia fruticosa	Kopsia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Psilocybe baeocystis	Psilocybe	Strophariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Alexandrium ostenfeldii	Alexandrium	Pyrocystaceae	Gonyaulacales	Dinophyceae	None	None	Eukaryota
Solaster endeca	Solaster	Solasteridae	Velatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Kopsia singapurensis	Kopsia	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scutellaria glabrata	Scutellaria	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 338.4510000000001

TPSA？: 41.57

MolLogP？: 2.929900000000001

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	KB	IC50	25.0	ug.mL-1	10.1021/np0703747
None	NON-PROTEIN TARGET	IC50	25.0	ug.mL-1	10.1021/np0703747