Trigonostemine F
AlkaPlorer ID: AK087431
Synonym: None
IUPAC Name: 1-(7-methoxyquinolin-4-yl)-2,9-dihydropyrido[3,4-b]indol-3-one
Structure
SMILES: COC1=CC=C2C(C3=NC(O)=CC4=C3NC3=CC=CC=C34)=CC=NC2=C1
InChI: InChI=1S/C21H15N3O2/c1-26-12-6-7-14-15(8-9-22-18(14)10-12)20-21-16(11-19(25)24-20)13-4-2-3-5-17(13)23-21/h2-11,23H,1H3,(H,24,25)
InChIKey: PPXQLIICQQDSIF-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 57396566
LOTUS: LTS0041583
COCONUT: CNP0179679
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon lii | Trigonostemon | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.37000000000006
TPSA？: 71.03
MolLogP？: 4.645500000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | HL-60 | IC50 | 40000.0 | 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 | 40000.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2012.01.106 |