Discretine
AlkaPlorer ID: AK016450
Synonym: None
IUPAC Name: (13aS)-2,10,11-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
Structure
SMILES: COC1=CC2=C(C=C1O)CCN1CC3=CC(OC)=C(OC)C=C3C[C@@H]21
InChI: InChI=1S/C20H23NO4/c1-23-18-10-15-12(7-17(18)22)4-5-21-11-14-9-20(25-3)19(24-2)8-13(14)6-16(15)21/h7-10,16,22H,4-6,11H2,1-3H3/t16-/m0/s1
InChIKey: FSKPDOZBWMKQBY-INIZCTEOSA-N
Reference
Isoquinoline alkaloids from Artabotrys brachypetalus
PubChem CID: 821491
LOTUS: LTS0157437
SuperNatural Ⅲ: SN0094326-02
NPASS: NPC151895
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Desmos | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Grevillea hilliana | Grevillea | Proteaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Micromelum ceylanicum | Micromelum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 51.16000000000001
MolLogP？: 3.073500000000002
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 29000.0 | nM | 10.1021/np8004437 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1600.0 | nM | 10.1021/np8004437 |