Molecule

Polyveoline

AlkaPlorer ID: AK046326

Synonym: None

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

Structure

SMILES: CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C[C@@H]4NC5=CC=CC=C5[C@@H]4[C@]3(C)CC[C@@H]12

InChI: InChI=1S/C23H33NO/c1-21(2)17-9-11-23(4)18(22(17,3)12-10-19(21)25)13-16-20(23)14-7-5-6-8-15(14)24-16/h5-8,16-20,24-25H,9-13H2,1-4H3/t16-,17-,18-,19+,20-,22-,23+/m0/s1

InChIKey: HVKUYPXKTAMIFI-SZKCUPFNSA-N

Reference

La polyveoline, nouvel indolosesquiterpene isole du polyalthia suaveolens, annonacees

PubChem CID: 46871719

LOTUS: LTS0194969

SuperNatural Ⅲ: SN0136586-02

NPASS: NPC311330

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: 339.5230000000002

TPSA？: 32.26

MolLogP？: 5.187700000000005

Number of H-Donors: 2

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	nan	%	10.1016/j.bmcl.2010.04.145
Oryctolagus cuniculus	Fructose-bisphosphate aldolase A	IC50	270000.0	nM	10.1016/j.bmcl.2010.04.145
Oryctolagus cuniculus	Glyceraldehyde-3-phosphate dehydrogenase	IC50	620000.0	nM	10.1016/j.bmcl.2010.04.145
Trypanosoma brucei	6-phospho-1-fructokinase	IC50	30000.0	nM	10.1016/j.bmcl.2010.04.145
Trypanosoma brucei brucei	Trypanosoma brucei brucei	ED50	54.0	uM	10.1016/j.bmcl.2010.04.145
None	Unchecked	IC50	80000.0	nM	10.1016/j.bmcl.2010.04.145
None	Unchecked	IC50	110000.0	nM	10.1016/j.bmcl.2010.04.145
None	Unchecked	IC50	310000.0	nM	10.1016/j.bmcl.2010.04.145
None	Unchecked	Ki	18000.0	nM	10.1016/j.bmcl.2010.04.145
None	Unchecked	Ki	50000.0	nM	10.1016/j.bmcl.2010.04.145
None	Unchecked	Ratio IC50	3.0	None	10.1016/j.bmcl.2010.04.145