Trigonostemine C
AlkaPlorer ID: AK171713
Synonym: None
IUPAC Name: (2-hydroxy-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=C(O)NC2=CC=CC=C12
InChI: InChI=1S/C21H15N3O3/c1-27-11-6-7-12-13-8-9-22-19(18(13)23-16(12)10-11)20(25)17-14-4-2-3-5-15(14)24-21(17)26/h2-10,23-24,26H,1H3
InChIKey: KXSXMTWFKGXALP-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 136196557
LOTUS: LTS0033230
COCONUT: CNP0154968
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon lii | Trigonostemon | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.369
TPSA？: 91.0
MolLogP？: 4.142600000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 18470.0 | 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 | 16060.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SMMC-7721 | IC50 | 15980.0 | nM | 10.1016/j.bmcl.2012.01.106 |
| Homo sapiens | SW480 | IC50 | 17190.0 | nM | 10.1016/j.bmcl.2012.01.106 |