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Thalicmidine

AlkaPlorer ID: AK016151

Synonym: '(S)-O-Methylisoboldine', 'Thaliporphine', '(+)-Thaliporphine'

IUPAC Name: (6aS)-2,9,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

Structure

SMILES: COC1=C(OC)C=C2C(=C1)C[C@H]1C3=C(C=C(OC)C(O)=C23)CCN1C

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InChI: InChI=1S/C20H23NO4/c1-21-6-5-11-8-17(25-4)20(22)19-13-10-16(24-3)15(23-2)9-12(13)7-14(21)18(11)19/h8-10,14,22H,5-7H2,1-4H3/t14-/m0/s1

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InChIKey: SAERKXUSZPTMCQ-AWEZNQCLSA-N

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Properties Information

Molecule Weight: 341.4070000000001

TPSA？: 51.16

MolLogP？: 3.170100000000001

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 50118.7 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 3162.3 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 14125.4 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 28183.8 nM None
Homo sapiens Alpha-galactosidase A Potency 56234.1 nM None
Homo sapiens Arachidonate 15-lipoxygenase Potency 5011.9 nM None
Homo sapiens Bloom syndrome protein Potency 39810.7 nM None
Homo sapiens Caspase-1 Potency 25118.9 nM None
Homo sapiens Caspase-7 Potency 31622.8 nM None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cellular tumor antigen p53 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 Potency 7943.3 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 39810.7 nM None
Homo sapiens DNA polymerase kappa Potency 10000.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 34435.5 nM None
Homo sapiens MAP kinase ERK2 Potency 31622.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 31622.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 35481.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 5011.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 11220.2 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 39810.7 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 44668.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23715.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29855.4 nM None
Rattus norvegicus Heart Activity 82.0 % 10.1021/np3007765
Rattus norvegicus Heart Activity 86.0 % 10.1021/np3007765
Rattus norvegicus Heart Activity 92.0 % 10.1021/np3007765
Rattus norvegicus Inositol monophosphatase 1 Potency 8912.5 nM None
Rattus norvegicus Inositol monophosphatase 1 Potency 19952.6 nM None
None NON-PROTEIN TARGET Activity 104.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 110.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 125.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 140.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 154.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 163.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 180.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity 243.0 % 10.1021/np3007765
None NON-PROTEIN TARGET Activity nan None 10.1021/np3007765
None Unchecked Potency 14125.4 nM None
None Unchecked Potency 17782.8 nM None
None Unchecked Potency 25118.9 nM None

Metabolism Information