Molecule

Rhazinal

AlkaPlorer ID: AK061420

Synonym: None

IUPAC Name: (12R)-12-ethyl-9-oxo-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-17-carbaldehyde

Structure

SMILES: CC[C@]12CCCN3C(C=O)=CC(=C31)C1=CC=CC=C1N=C(O)CC2

InChI: InChI=1S/C20H22N2O2/c1-2-20-9-5-11-22-14(13-23)12-16(19(20)22)15-6-3-4-7-17(15)21-18(24)8-10-20/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,21,24)/t20-/m1/s1

InChIKey: SPTWAVJFKXKKPY-HXUWFJFHSA-N

Reference

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

PubChem CID: 12041235

LOTUS: LTS0165473

SuperNatural Ⅲ: SN0352069-01

NPASS: NPC159125

data_source: manually

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: 322.40800000000013

TPSA？: 54.59

MolLogP？: 4.791000000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterococcus faecalis	Enterococcus faecalis	MIC	19000.0	nM	10.1021/acs.jnatprod.6b00011
Escherichia coli	Escherichia coli	MIC	150000.0	nM	10.1021/acs.jnatprod.6b00011
Homo sapiens	KB	IC50	730.0	nM	10.1021/np0703747
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	77000.0	nM	10.1021/acs.jnatprod.6b00011
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	2000.0	nM	10.1021/acs.jnatprod.6b00011
Staphylococcus aureus	Staphylococcus aureus	MIC	150000.0	nM	10.1021/acs.jnatprod.6b00011
None	ADMET	IC50	nan	nM	10.1016/S0960-894X(97)00391-0
None	NON-PROTEIN TARGET	IC50	760.0	nM	10.1021/np0703747
None	NON-PROTEIN TARGET	IC50	930.0	nM	10.1021/np0703747
None	Unchecked	Ratio	6.0	None	10.1016/S0960-894X(97)00391-0