1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
AlkaPlorer ID: AK012409
Synonym: '3-Carboxy-1,2,3,4-tetrahydro-2-carboline', '1,2,3,4-Tetrahydro-beta-carboline-3-carboxylic acid', '3-Carboxy-1,2,3,4-tetrahydro-beta-carboline', 'Lycoperodine 1', 'CCRIS 6486', '42438-90-4', '129848-94-8', '6052-68-2', 'lycoperodine-1', '(-)-3-Carboxy-1,2,3,4-tetrahydro-beta-carboline', 'NSC 96912'
IUPAC Name: (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Structure
SMILES: O=C(O)[C@H]1CC2=C(CN1)NC1=CC=CC=C21
InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1
InChIKey: FSNCEEGOMTYXKY-SNVBAGLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium chinense | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Allium macrostemon | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 216.24000000000004
TPSA？: 65.12
MolLogP？: 1.2667999999999997
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 19A1 | Inhibition | 34.9 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Ratio | 0.8 | None | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Survival | 90.7 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Inhibition | 3.5 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Survival | 95.9 | % | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | Inhibition | -72.5 | % | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | Survival | 95.4 | % | 10.1016/j.bmc.2011.09.020 |