alangimarckine
AlkaPlorer ID: AK024189
Synonym: '', 'Alangimarckine', '(-)-alangimarckine'
IUPAC Name: (2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2-[[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-8-ol
Structure
SMILES: CC[C@H]1CN2CCC3=C(O)C(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C29H37N3O3/c1-4-17-16-32-12-10-21-22(15-26(34-2)29(35-3)28(21)33)25(32)14-18(17)13-24-27-20(9-11-30-24)19-7-5-6-8-23(19)31-27/h5-8,15,17-18,24-25,30-31,33H,4,9-14,16H2,1-3H3/t17-,18-,24+,25-/m0/s1
InChIKey: BZIKDLPHKDIUHH-PCYHDRSOSA-N
Reference
The biosynthesis of β-carboline and quinolizidine alkaloids of Alangium lamarckii
PubChem CID: 442159
CAS: 13849-53-1
LOTUS: LTS0133120
NPASS: NPC280243
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium salviifolium | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 475.63300000000027
TPSA？: 69.75
MolLogP？: 5.113100000000005
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 3000.0 | nM | 10.1021/acs.jnatprod.9b00670 |
| Homo sapiens | HeLa | IC50 | 8200.0 | nM | 10.1021/acs.jnatprod.9b00670 |
| Homo sapiens | SK-OV-3 | IC50 | 200.0 | nM | 10.1021/acs.jnatprod.9b00670 |