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name Structure Reference Source Properties Activities Metabolism

Oxopurpureine

AlkaPlorer ID: AK049998

Synonym: None

IUPAC Name: 4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

Structure

SMILES: COC1=CC2=C(C=C1OC)C1=C(OC)C(OC)=C(OC)C3=CC=NC(=C13)C2=O

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InChI: InChI=1S/C21H19NO6/c1-24-13-8-11-12(9-14(13)25-2)18(23)17-15-10(6-7-22-17)19(26-3)21(28-5)20(27-4)16(11)15/h6-9H,1-5H3

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InChIKey: AZTLZBDEFBJZQG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Annona purpurea Annona Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 381.3840000000001

TPSA？: 76.11000000000001

MolLogP？: 3.489200000000002

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Caenorhabditis elegans Cytoplasmic zinc-finger protein EC50 28614.0 nM None
Caenorhabditis elegans Female germline-specific tumor suppressor gld-1 IC50 6152.0 nM None
Caenorhabditis elegans Zinc finger protein mex-5 EC50 4831.0 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 19905.4 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 12589.3 nM None
Homo sapiens Ataxin-2 Potency 3548.1 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 6513.1 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 28183.8 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3548.1 nM None
Homo sapiens DNA polymerase iota Potency 14125.4 nM None
Homo sapiens Flap endonuclease 1 Potency 10000.0 nM None
Homo sapiens Geminin Potency 3264.3 nM None
Homo sapiens Geminin Potency 8199.5 nM None
Homo sapiens HEK293 Potency 259.3 nM None
Homo sapiens HepG2 Potency 35481.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 70794.6 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 11220.2 nM None
Homo sapiens Huntingtin Potency 11220.2 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 35481.3 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 12589.3 nM None
Homo sapiens MAP kinase ERK2 Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens Muscleblind-like protein 1 Potency 4466.8 nM None
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens Putative hexokinase HKDC1 IC50 10100.0 nM None
Homo sapiens Putative hexokinase HKDC1 IC50 12100.0 nM None
Homo sapiens Serine-protein kinase ATM Potency 31622.8 nM None
Homo sapiens Survival motor neuron protein Potency 35481.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3662.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 4109.5 nM None
Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1) Protein Rev IC50 75418.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 13115.4 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
Rattus norvegicus INS1 AC50 3344.0 nM None
Trypanosoma cruzi Cruzipain Potency 39810.7 nM None
None Platelet Activity 43.7 % 10.1021/np9800046
None Platelet Activity 53.5 % 10.1021/np9800046
None Platelet Activity 87.2 % 10.1021/np9800046
None Platelet Activity 91.2 % 10.1021/np9800046
None Unchecked EC50 110000.0 nM None
None Unchecked Potency 1000.0 nM None
None Unchecked Potency 1995.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 16360.1 nM None
None Unchecked Potency 18356.4 nM None

Metabolism Information