Molecule

Pallidine

AlkaPlorer ID: AK040442

Synonym: '', 'Isosalutaridine', '(-)-Isosalutaridine', '(-)-Pallidine'

IUPAC Name: (1S,9S)-5-hydroxy-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one

SMILES: COC1=C[C@@]23CCN(C)[C@@H](CC4=CC(O)=C(OC)C=C42)C3=CC1=O

InChI: InChI=1S/C19H21NO4/c1-20-5-4-19-10-18(24-3)16(22)8-13(19)14(20)6-11-7-15(21)17(23-2)9-12(11)19/h7-10,14,21H,4-6H2,1-3H3/t14-,19-/m0/s1

InChIKey: FBCNBECEGOCMPI-LIRRHRJNSA-N

PubChem CID: 12313923

LOTUS: LTS0146925

SuperNatural Ⅲ: SN0080930-03

NPASS: NPC213788

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Alpinia pricei	Alpinia	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ficus septica	Ficus	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nalanthamala diospyri	Nalanthamala	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Beilschmiedia kunstleri	Beilschmiedia	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lippia graveolens	Lippia	Verbenaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ferulago sylvatica	Ferulago	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Crinum stuhlmannii	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Metrodorea flavida	Metrodorea	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gordonia terrae	Gordonia	Gordoniaceae	Mycobacteriales	Actinomycetes	Actinomycetota	None	Bacteria
Seiridium cardinale	Seiridium	Sporocadaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Duguetia surinamensis	Duguetia	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Metadina trichotoma	Metadina	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Palaquium leiocarpum	Palaquium	Sapotaceae	Ericales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Curcuma wenyujin	Curcuma	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Paeonia officinalis	Paeonia	Paeoniaceae	Saxifragales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 327.3800000000001

TPSA？: 59.00000000000001

MolLogP？: 1.9382

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HCT-116	IC50	10000.0	nM	10.1021/acs.jnatprod.9b00287
Homo sapiens	HepG2	IC50	10000.0	nM	10.1021/acs.jnatprod.9b00287
Homo sapiens	HL-60	IC50	10000.0	nM	10.1021/acs.jnatprod.9b00287
Homo sapiens	MCF7	IC50	10000.0	nM	10.1021/acs.jnatprod.9b00287
Homo sapiens	MRC5	IC50	10000.0	nM	10.1021/acs.jnatprod.9b00287