Trigonostemine A
AlkaPlorer ID: AK095363
Synonym: None
IUPAC Name: 1H-indol-3-yl-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)methanone
Structure
SMILES: COC1=CC=C2C(=C1)NC1=C2C=CN=C1C(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C21H15N3O2/c1-26-12-6-7-14-15-8-9-22-20(19(15)24-18(14)10-12)21(25)16-11-23-17-5-3-2-4-13(16)17/h2-11,23-24H,1H3
InChIKey: PGGWEUVCQQRYQR-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 57345601
LOTUS: LTS0084370
COCONUT: CNP0365391
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon bonianus | Trigonostemon | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.37
TPSA？: 70.77
MolLogP？: 4.437000000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 23900.0 | 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 | 5300.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SMMC-7721 | IC50 | 22410.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SW480 | IC50 | 4860.0 | nM | 10.1016/j.bmcl.2012.01.106 |