Anomuricine; (ξ)-form, Me ether
AlkaPlorer ID: AK288070
Synonym: 1,2,3,4-Tetrahydro-5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline, Anomurine
IUPAC Name: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Structure
SMILES: COC1=CC=C(CC2NCCC3=C(OC)C(OC)=C(OC)C=C32)C=C1
InChI: InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3
InChIKey: CMQSBRRTRZPLHE-UHFFFAOYSA-N
Reference
Secondary and tertiary isoquinoline alkaloids from Xylopia parviflora
PubChem CID: 157218
CAS: 78478-27-0
LOTUS: LTS0051495
COCONUT: CNP0174767.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona muricata | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.42300000000006
TPSA？: 48.95
MolLogP？: 3.150500000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Bos taurus | IC50 | 40000.0 | nM | 10.1021/jm00090a021 |
| Homo sapiens | A549 | ED50 | 19.3 | uM | 10.1021/jm00090a021 |
| Homo sapiens | HT-29 | ED50 | 20.2 | uM | 10.1021/jm00090a021 |
| Homo sapiens | MCF7 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| Homo sapiens | SK-MEL-5 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| None | MLM | ED50 | 25.0 | uM | 10.1021/jm00090a021 |