Molecule

Kopsiloscine D

AlkaPlorer ID: AK114060

Synonym: None

IUPAC Name: dimethyl (1S,9R,16S,17S,18R,21R)-17,18-dihydroxy-6-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-2,18-dicarboxylate

Structure

SMILES: COC(=O)N1C2=CC=C(OC)C=C2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)[C@H]5O)[C@H]43

InChI: InChI=1S/C24H30N2O7/c1-31-14-5-6-16-15(13-14)22-10-12-25-11-4-7-21(17(22)25)8-9-23(22,26(16)20(29)33-3)24(30,18(21)27)19(28)32-2/h5-6,13,17-18,27,30H,4,7-12H2,1-3H3/t17-,18-,21-,22+,23-,24+/m0/s1

InChIKey: PJDRFJGYWGPIGZ-RDVCTWCYSA-N

Reference

Biologically Active Aspidofractinine, Rhazinilam, Akuammiline, and Vincorine Alkaloids from <i>Kopsia</i>

PubChem CID: 24178779

LOTUS: LTS0110236

SuperNatural Ⅲ: SN0286832-01

NPASS: NPC288110

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
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: 458.5110000000003

TPSA？: 108.77

MolLogP？: 1.1850999999999996

Number of H-Donors: 2

Number of H-Acceptors: 8

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
None	NON-PROTEIN TARGET	IC50	25100.0	nM	10.1021/np0703747