7-Methoxy-beta-Carboline 1-propionic acid
AlkaPlorer ID: AK032027
Synonym: '7-Methoxy-beta-carboline-1-propionic acid'
IUPAC Name: 3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C(CCC(=O)O)N=CC=C12
InChI: InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
InChIKey: WEBVBZDGWMAXEF-UHFFFAOYSA-N
Reference
Eurycomaoside: A New Quassinoid-Type Glycoside from the Roots of Eurycoma longifolia
PubChem CID: 12082492
CAS: 137756-13-9
LOTUS: LTS0240424
COCONUT: CNP0278771
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eurycoma longifolia | Eurycoma | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 270.28799999999995
TPSA？: 75.21000000000001
MolLogP？: 2.7419
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | A549 | ED50 | 20.0 | ug ml-1 | 10.1021/np030277n |
| Homo sapiens | A549 | Inhibition | 7.0 | % | 10.1021/np030277n |
| Homo sapiens | Calu-3 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | HCT-8 | Activity | 108.23 | % | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | HCT-8 | CC50 | 79000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | HepG2 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | MCF7 | ED50 | 20.0 | ug ml-1 | 10.1021/np030277n |
| Homo sapiens | MCF7 | Inhibition | 15.0 | % | 10.1021/np030277n |
| Homo sapiens | MRC5 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2.978 | ug.mL-1 | 10.1021/np50077a020 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3.144 | ug.mL-1 | 10.1021/np50077a020 |
| None | Unchecked | Activity | 20.0 | % | 10.1021/acs.jnatprod.2c00736 |