Molecule

1-[(1R,2S,10S,12S,13R,16R,18R)-16-hydroxy-1,13,17,17-tetramethyl-9-azapentacyclo[10.8.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]icosa-3(8),4,6-trien-9-yl]ethanone

AlkaPlorer ID: AK056275

Synonym: None

IUPAC Name: 1-[(1R,2S,10S,12S,13R,16R,18R)-16-hydroxy-1,13,17,17-tetramethyl-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7-trien-9-yl]ethanone

Structure

SMILES: CC(=O)N1C2=CC=CC=C2[C@H]2[C@@H]1C[C@@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@H](O)CC[C@]12C

InChI: InChI=1S/C25H35NO2/c1-15(27)26-17-9-7-6-8-16(17)22-18(26)14-20-24(4)13-11-21(28)23(2,3)19(24)10-12-25(20,22)5/h6-9,18-22,28H,10-14H2,1-5H3/t18-,19-,20-,21+,22-,24-,25+/m0/s1

InChIKey: OGSHVAKUSGJWTH-FQBMDWTRSA-N

Reference

Antitrypanosomal alkaloids from Polyalthia suaveolens (Annonaceae): Their effects on three selected glycolytic enzymes of Trypanosoma brucei

PubChem CID: 46871720

LOTUS: LTS0233665

SuperNatural Ⅲ: SN0264951-01

NPASS: NPC212799

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Calea jamaicensis	Calea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sesuvium portulacastrum	Sesuvium	Aizoaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Orobanche coerulescens	Orobanche	Orobanchaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Spirostachys africana	Spirostachys	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Caragana korshinskii	Caragana	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pinus leiophylla	Pinus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Campanula pyramidalis	Campanula	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces eurocidicus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Lupinus albus	Lupinus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Veronica officinalis	Veronica	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cystoseira myrica	Cystoseira	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota
Araucaria bidwillii	Araucaria	Araucariaceae	Araucariales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 381.5600000000002

TPSA？: 40.540000000000006

MolLogP？: 5.128700000000007

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	MRC5	Activity	nan	None	10.1016/j.bmcl.2010.04.145
Oryctolagus cuniculus	6-phosphofructokinase, muscle type	Inhibition	12.0	%	10.1016/j.bmcl.2010.04.145
Oryctolagus cuniculus	Fructose-bisphosphate aldolase A	Inhibition	nan	%	10.1016/j.bmcl.2010.04.145
Oryctolagus cuniculus	Glyceraldehyde-3-phosphate dehydrogenase	Inhibition	10.0	%	10.1016/j.bmcl.2010.04.145
Trypanosoma brucei	6-phospho-1-fructokinase	Inhibition	28.0	%	10.1016/j.bmcl.2010.04.145
Trypanosoma brucei brucei	Trypanosoma brucei brucei	ED50	32.0	uM	10.1016/j.bmcl.2010.04.145
None	Unchecked	Inhibition	10.0	%	10.1016/j.bmcl.2010.04.145
None	Unchecked	Inhibition	11.0	%	10.1016/j.bmcl.2010.04.145