Harmic Acid Methyl Ester
AlkaPlorer ID: AK104166
Synonym: None
IUPAC Name: methyl 7-methoxy-9H-pyrido[3,4-b]indole-1-carboxylate
Structure
SMILES: COC(=O)C1=NC=CC2=C1NC1=CC(OC)=CC=C12
InChI: InChI=1S/C14H12N2O3/c1-18-8-3-4-9-10-5-6-15-13(14(17)19-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3
InChIKey: GGTFWDPYRXONGD-UHFFFAOYSA-N
Reference
β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang
PubChem CID: 57391302
CAS: 57498-79-0
LOTUS: LTS0221199
COCONUT: CNP0105548
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Banisteriopsis caapi | Banisteriopsis | Malpighiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 256.261
TPSA？: 64.21
MolLogP？: 2.5113000000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
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 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |
| 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 | PC-3 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |
| Homo sapiens | SGC-7901 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.6b01146 |
| 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 |