Lindoldhamine
AlkaPlorer ID: AK020286
Synonym: '(+)-Lindoldhamine'
IUPAC Name: (1S)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Structure
SMILES: COC1=CC2=C(C=C1O)[C@H](CC1=CC=C(OC3=CC(C[C@@H]4NCCC5=CC(OC)=C(O)C=C54)=CC=C3O)C=C1)NCC2
InChI: InChI=1S/C34H36N2O6/c1-40-32-16-22-9-11-35-27(25(22)18-30(32)38)13-20-3-6-24(7-4-20)42-34-15-21(5-8-29(34)37)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h3-8,15-19,27-28,35-39H,9-14H2,1-2H3/t27-,28-/m0/s1
InChIKey: DUBVXSGAOWUPMY-NSOVKSMOSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lindera megaphylla | Lindera | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 568.6700000000002
TPSA？: 112.44
MolLogP？: 5.471900000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 15811.4 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 39810.7 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 3162.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 12589.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 28183.8 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 39810.7 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 19952.6 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 22387.2 | nM | None |
| Homo sapiens | Pyruvate kinase isozymes M1/M2 | Potency | 10000.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 22387.2 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 414.7 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 737.5 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 35481.3 | nM | None |
| None | Unchecked | EC50 | 48310.0 | nM | None |
| None | Unchecked | IC50 | 56896.0 | nM | None |
| None | Unchecked | IC50 | 64040.0 | nM | None |
| None | Unchecked | Potency | 366.3 | nM | None |