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R-(-)-actinodaphnine

AlkaPlorer ID: AK014093

Synonym: 'Actinodaphine', '(-)-(7aR)-11-Methoxy-6,7,7a,8-tetrahydro-5H-1,3benzodioxolo6,5,4-debenzogquinolin-10-ol', '(+)-Actinodaphnine', 'actinodaphnine', '1,2-Methylenedioxy-9-hydroxy-10-methoxynoraporphine', 'Actinodaphnine'

IUPAC Name: (12R)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol

Structure

SMILES: COC1=CC2=C(C=C1O)C[C@H]1NCCC3=CC4=C(OCO4)C2=C31

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InChI: InChI=1S/C18H17NO4/c1-21-14-7-11-10(5-13(14)20)4-12-16-9(2-3-19-12)6-15-18(17(11)16)23-8-22-15/h5-7,12,19-20H,2-4,8H2,1H3/t12-/m1/s1

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InChIKey: VYJUHRAQPIBWNV-GFCCVEGCSA-N

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Properties Information

Molecule Weight: 311.3370000000001

TPSA？: 59.95

MolLogP？: 2.5394000000000005

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 631.0 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 8891.4 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 25118.9 nM None
Homo sapiens 78 kDa glucose-regulated protein Potency 50118.7 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 35481.3 nM None
Homo sapiens Ataxin-2 Potency 19952.6 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 14581.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 22387.2 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 15848.9 nM None
Homo sapiens DNA polymerase beta Potency 39810.7 nM None
Homo sapiens DNA polymerase eta Potency 25118.9 nM None
Homo sapiens DNA polymerase iota Potency 14125.4 nM None
Homo sapiens DNA polymerase kappa Potency 56234.1 nM None
Homo sapiens Flap endonuclease 1 Potency 10000.0 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 10000.0 nM None
Homo sapiens HEK293 Potency 16360.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 89125.1 nM None
Homo sapiens Histone-lysine N-methyltransferase MLL Potency 50118.7 nM None
Homo sapiens Huntingtin Potency 35481.3 nM None
Homo sapiens Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 5612.2 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 23109.3 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 35481.3 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 22387.2 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Microtubule-associated protein tau Potency 22387.2 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 35481.3 nM None
Homo sapiens Muscleblind-like protein 1 Potency 17782.8 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 35481.3 nM None
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens Sphingomyelin phosphodiesterase Potency 39810.7 nM None
Homo sapiens Survival motor neuron protein Potency 56.2 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 7079.5 nM None
Homo sapiens Werner syndrome ATP-dependent helicase Potency 19952.6 nM None
Influenza A virus Nonstructural protein 1 Potency 22387.2 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 10000.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 18526.0 nM None
None Unchecked AC50 27660.0 nM None
None Unchecked AC50 84180.0 nM None
None Unchecked EC50 13204.0 nM None
None Unchecked EC50 85585.0 nM None
None Unchecked EC50 120000.0 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 11582.1 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 20596.2 nM None
None Unchecked Potency 28183.8 nM None

Metabolism Information