Mahanimbine
AlkaPlorer ID: AK404284
Synonym: None
IUPAC Name: 3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Structure
SMILES: CC(C)=CCCC1(C)C=CC2=C3NC4=CC=CC=C4C3=CC(C)=C2O1
InChI: InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
InChIKey: HTNVFUBCWIYPJN-UHFFFAOYSA-N
Reference
PubChem CID: 167963
CAS: 21104-28-9
LOTUS: LTS0232887
COCONUT: CNP0255114.2
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 331.4590000000001
TPSA？: 25.02
MolLogP？: 6.540220000000006
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | Inhibition | -3.2 | % | 10.1016/j.bmc.2013.01.012 |
| Agaricus bisporus | Tyrosinase | Inhibition | -1.3 | % | 10.1016/j.bmc.2013.01.012 |
| Agaricus bisporus | Tyrosinase | Inhibition | -0.4 | % | 10.1016/j.bmc.2013.01.012 |
| Agaricus bisporus | Tyrosinase | Inhibition | 2.7 | % | 10.1016/j.bmc.2013.01.012 |
| Agaricus bisporus | Tyrosinase | Inhibition | 6.2 | % | 10.1016/j.bmc.2013.01.012 |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 3162.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 8912.5 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 15848.9 | nM | None |
| Homo sapiens | Pancreatic lipase | IC50 | 17900.0 | nM | 10.1016/j.bmc.2016.11.031 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3662.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 6513.1 | nM | None |
| Human immunodeficiency virus | Human immunodeficiency virus | Activity | nan | None | 10.1021/np990570g |
| None | ADMET | Activity | 34.4 | % | 10.1016/j.bmc.2013.01.012 |
| None | ADMET | Activity | 35.1 | % | 10.1016/j.bmc.2013.01.012 |
| None | ADMET | Activity | 68.7 | % | 10.1016/j.bmc.2013.01.012 |
| None | ADMET | Activity | 94.3 | % | 10.1016/j.bmc.2013.01.012 |
| None | Unchecked | IC50 | 1400.0 | nM | 10.1016/j.bmc.2013.01.012 |
| None | Unchecked | Inhibition | 43.3 | % | 10.1016/j.bmc.2013.01.012 |
| None | Unchecked | Inhibition | 63.9 | % | 10.1016/j.bmc.2013.01.012 |
| None | Unchecked | Potency | 8912.5 | nM | None |