Trigonostemonine C
AlkaPlorer ID: AK066889
Synonym: None
IUPAC Name: 7-methoxy-1-quinolin-4-yl-9H-pyrido[3,4-b]indole
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C2C=CN=C1C1=CC=NC2=CC=CC=C12
InChI: InChI=1S/C21H15N3O/c1-25-13-6-7-15-17-9-11-23-20(21(17)24-19(15)12-13)16-8-10-22-18-5-3-2-4-14(16)18/h2-12,24H,1H3
InChIKey: XXGIAGKWTXSGQY-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 49800816
LOTUS: LTS0056649
COCONUT: CNP0134133
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon lii | Trigonostemon | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.37100000000004
TPSA？: 50.8
MolLogP？: 4.939900000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 23140.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | HL-60 | IC50 | 13390.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SMMC-7721 | IC50 | 15480.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2012.01.106 |