3-{7-hydroxy-9H-pyrido[3,4-b]indol-1-yl}propanoic acid
AlkaPlorer ID: AK115674
Synonym: None
IUPAC Name: 3-(7-oxo-2,9-dihydropyrido[3,4-b]indol-1-yl)propanoic acid
Structure
SMILES: O=C(O)CCC1=NC=CC2=C1NC1=CC(O)=CC=C12
InChI: InChI=1S/C14H12N2O3/c17-8-1-2-9-10-5-6-15-11(3-4-13(18)19)14(10)16-12(9)7-8/h1-2,5-7,16-17H,3-4H2,(H,18,19)
InChIKey: LGPMETHHCBEDNW-UHFFFAOYSA-N
Reference
Canthin-6-one and β-carboline alkaloids from Eurycoma harmandiana
LOTUS: LTS0102258
COCONUT: CNP0202069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fontinalis squamosa | Fontinalis | Fontinalaceae | Hypnales | Bryopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 256.261
TPSA？: 86.21
MolLogP？: 2.4389000000000003
Number of H-Donors: 3
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 | 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 | 50060.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | HepG2 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| Homo sapiens | MRC5 | CC50 | 100000.0 | nM | 10.1021/acs.jnatprod.2c00736 |
| None | Unchecked | Activity | 20.0 | % | 10.1021/acs.jnatprod.2c00736 |