7-Hydroxy-β-carboline-1-carboxylic acid; 3,4-Dihydro, Me ether
AlkaPlorer ID: AK260307
Synonym: 3,4-Dihydro-7-hydroxy-β-carboline-1-carboxylic acid, Harmalinic acid
IUPAC Name: 7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid
Structure
SMILES: COC1=CC=C2C3=C(NC2=C1)C(C(=O)O)=NCC3
InChI: InChI=1S/C13H12N2O3/c1-18-7-2-3-8-9-4-5-14-12(13(16)17)11(9)15-10(8)6-7/h2-3,6,15H,4-5H2,1H3,(H,16,17)
InChIKey: YORAHDDRCPQNEN-UHFFFAOYSA-N
Reference
New organic bases from amazonian Banisteriopsis caapi
PubChem CID: 101660925
LOTUS: LTS0167981
COCONUT: CNP0161833
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Banisteriopsis caapi | Banisteriopsis | Malpighiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 244.25
TPSA？: 74.68
MolLogP？: 1.6063
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|