2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid; (S)-form, N2-Me, Me ester
AlkaPlorer ID: AK216797
Synonym: Methyl 2-methyl-2,3,4,9-tetrahydro-β-carboline-3-carboxylate
IUPAC Name: methyl 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Structure
SMILES: COC(=O)C1CC2=C(CN1C)NC1=CC=CC=C21
InChI: InChI=1S/C14H16N2O2/c1-16-8-12-10(7-13(16)14(17)18-2)9-5-3-4-6-11(9)15-12/h3-6,13,15H,7-8H2,1-2H3
InChIKey: DTYNBONEAKXFNI-UHFFFAOYSA-N
Reference
The alkaloids of Gastrolobium callistachys
PubChem CID: 12787334
LOTUS: LTS0012776
COCONUT: CNP0151285
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gastrolobium callistachys | Gastrolobium | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 244.294
TPSA？: 45.33
MolLogP？: 1.6973999999999996
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|