Trigonostemine E
AlkaPlorer ID: AK078932
Synonym: None
IUPAC Name: 7-methoxy-1-quinolin-4-yl-2,9-dihydropyrido[3,4-b]indol-3-one
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C2C=C(O)N=C1C1=CC=NC2=CC=CC=C12
InChI: InChI=1S/C21H15N3O2/c1-26-12-6-7-14-16-11-19(25)24-20(21(16)23-18(14)10-12)15-8-9-22-17-5-3-2-4-13(15)17/h2-11,23H,1H3,(H,24,25)
InChIKey: YDXLVLLGEJJBBH-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 57391301
LOTUS: LTS0135938
COCONUT: CNP0376028
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon bonianus | 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 | 24290.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | HL-60 | IC50 | 18770.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | MCF7 | IC50 | 14440.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SMMC-7721 | IC50 | 23520.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SW480 | IC50 | 39050.0 | nM | 10.1016/j.bmcl.2012.01.106 |