7-Hydroxy-β-carboline-1-carboxylic acid; Me ether, amide
AlkaPlorer ID: AK265221
Synonym: 7-Methoxy-β-carboline-1-carboxamide, Harmic amide
IUPAC Name: 7-methoxy-9H-pyrido[3,4-b]indole-1-carboxamide
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C2C=CN=C1C(=N)O
InChI: InChI=1S/C13H11N3O2/c1-18-7-2-3-8-9-4-5-15-12(13(14)17)11(9)16-10(8)6-7/h2-6,16H,1H3,(H2,14,17)
InChIKey: PINCERXQILXQIT-UHFFFAOYSA-N
Reference
New alkaloids from Banisteriopsis caapi
PubChem CID: 71388550
CAS: 62230-09-5
LOTUS: LTS0097899
NPASS: NPC146472
COCONUT: CNP0247243
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Banisteriopsis caapi | Banisteriopsis | Malpighiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Peganum harmala | Peganum | Nitrariaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 241.25
TPSA？: 81.99
MolLogP？: 2.60807
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |
| Homo sapiens | PC-3 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |
| Homo sapiens | SGC-7901 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |