Molecule

(-)-13a-alpha-6-O-desmethyl-antofine

AlkaPlorer ID: AK001073

Synonym: None

IUPAC Name: (13aR)-2,3-dimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[10,9-f]indolizin-6-ol

Structure

SMILES: COC1=CC2=C3C[C@H]4CCCN4CC3=C3C=CC(O)=CC3=C2C=C1OC

InChI: InChI=1S/C22H23NO3/c1-25-21-10-18-16-8-13-4-3-7-23(13)12-20(16)15-6-5-14(24)9-17(15)19(18)11-22(21)26-2/h5-6,9-11,13,24H,3-4,7-8,12H2,1-2H3/t13-/m1/s1

InChIKey: BFZAOGGSKQRCNS-CYBMUJFWSA-N

Reference

In Vitro Cytotoxic Activity of Phenanthroindolizidine Alkaloids from Cynanchum vincetoxicum and Tylophora tanakae against Drug-Sensitive and Multidrug-Resistant Cancer Cells

PubChem CID: 9975115

LOTUS: LTS0009481

SuperNatural Ⅲ: SN0024460-01

NPASS: NPC26601

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nandina domestica	Nandina	Berberidaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Bryonia cretica	Bryonia	Cucurbitaceae	Cucurbitales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Cynanchum	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Parmelia omphalodes	Parmelia	Parmeliaceae	Lecanorales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Isertia hypoleuca	Isertia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dimetia capitellata	Dimetia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 349.43000000000006

TPSA？: 41.93000000000001

MolLogP？: 4.236300000000004

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	GI50	1.0	nM	10.1016/j.ejmech.2012.02.048
Homo sapiens	A549	IC50	1.0	nM	10.1016/j.bmcl.2014.11.086
Homo sapiens	A549	Inhibition	86.0	%	10.1016/j.ejmech.2012.02.048
Homo sapiens	A549	Inhibition	92.3	%	10.1016/j.ejmech.2012.02.048
Homo sapiens	A549	Inhibition	94.8	%	10.1016/j.ejmech.2012.02.048
Homo sapiens	Bel-7402	IC50	26.0	nM	10.1016/j.bmc.2019.05.030
Homo sapiens	HL-60	GI50	1.0	nM	10.1016/j.ejmech.2012.02.048
Homo sapiens	HL-60	IC50	4.0	nM	10.1016/j.bmc.2019.05.030
Homo sapiens	HL-60	Inhibition	86.5	%	10.1016/j.ejmech.2012.02.048
Homo sapiens	HL-60	Inhibition	87.1	%	10.1016/j.ejmech.2012.02.048
Homo sapiens	HL-60	Inhibition	89.7	%	10.1016/j.ejmech.2012.02.048
Tobacco mosaic virus	Tobacco mosaic virus	GI	70.0	%	10.1021/jf302746m
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	33.5	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	35.4	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	40.0	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	42.0	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	60.4	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	65.3	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	70.0	%	10.1021/jf3013376
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	70.0	%	10.1021/jf303550a
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	70.5	%	10.1021/jf304905k
Tobacco mosaic virus	Tobacco mosaic virus	Inhibition	72.4	%	10.1021/jf304905k
None	NON-PROTEIN TARGET	IC50	7.0	nM	10.1021/np0106384
None	NON-PROTEIN TARGET	IC50	10.0	nM	10.1021/np0106384