Trigonostemine D
AlkaPlorer ID: AK165266
Synonym: None
IUPAC Name: (2-hydroxy-6-methoxy-1H-indol-3-yl)-(9H-pyrido[3,4-b]indol-1-yl)methanone
Structure
SMILES: COC1=CC=C2C(C(=O)C3=NC=CC4=C3NC3=CC=CC=C34)=C(O)NC2=C1
InChI: InChI=1S/C21H15N3O3/c1-27-11-6-7-14-16(10-11)24-21(26)17(14)20(25)19-18-13(8-9-22-19)12-4-2-3-5-15(12)23-18/h2-10,23-24,26H,1H3
InChIKey: KTOHBGJWOKYCIT-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 136202988
LOTUS: LTS0269652
COCONUT: CNP0130443
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trigonostemon lii | Trigonostemon | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.3690000000001
TPSA？: 91.0
MolLogP？: 4.1426000000000025
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 | 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 | 13750.0 | 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 |