Brevicarine
AlkaPlorer ID: AK075098
Synonym: N,1-Dimethyl-9H-pyrido[3,4-b]indole-4-butanamine, 4-(4-Methylaminobutyl)-β-carboline
IUPAC Name: N-methyl-4-(1-methyl-9H-pyrido[3,4-b]indol-4-yl)butan-1-amine
Structure
SMILES: CNCCCCC1=CN=C(C)C2=C1C1=CC=CC=C1N2
InChI: InChI=1S/C17H21N3/c1-12-17-16(14-8-3-4-9-15(14)20-17)13(11-19-12)7-5-6-10-18-2/h3-4,8-9,11,18,20H,5-7,10H2,1-2H3
InChIKey: OMGIBPZQATWNBX-UHFFFAOYSA-N
Reference
1,4-Substituted b-Carbolines from Carex brevicollis DC
PubChem CID: 5490034
CAS: 25978-39-6
LOTUS: LTS0057476
COCONUT: CNP0209017
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Carex brevicollis | Carex | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Carex parva | Carex | Cyperaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 267.376
TPSA？: 40.71
MolLogP？: 3.566620000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 31622.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 35481.3 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 15848.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 35481.3 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |