ankorine
AlkaPlorer ID: AK052399
Synonym: '(-)-ankorine'
IUPAC Name: (2R,3R,11bS)-3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-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]1CCO
InChI: InChI=1S/C19H29NO4/c1-4-12-11-20-7-5-14-15(16(20)9-13(12)6-8-21)10-17(23-2)19(24-3)18(14)22/h10,12-13,16,21-22H,4-9,11H2,1-3H3/t12-,13-,16-/m0/s1
InChIKey: UYQRWUWLBSTWCM-XEZPLFJOSA-N
Reference
The biosynthesis of β-carboline and quinolizidine alkaloids of Alangium lamarckii
PubChem CID: 442166
CAS: 13849-54-2
LOTUS: LTS0075373
SuperNatural Ⅲ: SN0383656-02
NPASS: NPC199670
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium kurzii | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alangium salviifolium | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.44400000000013
TPSA？: 62.16000000000001
MolLogP？: 2.737100000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 2100.0 | nM | 10.1021/acs.jnatprod.9b00670 |
| Homo sapiens | HeLa | IC50 | 5300.0 | nM | 10.1021/acs.jnatprod.9b00670 |
| Homo sapiens | SK-OV-3 | IC50 | 3600.0 | nM | 10.1021/acs.jnatprod.9b00670 |