Atalaphylline
AlkaPlorer ID: AK066922
Synonym: '', 'N-Methylatalaphylline'
IUPAC Name: 1,3,5-trihydroxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Structure
SMILES: CC(C)=CCC1=C(O)C(CC=C(C)C)=C2C(=C1O)C(=O)C1=CC=CC(O)=C1N2C
InChI: InChI=1S/C24H27NO4/c1-13(2)9-11-16-21-19(24(29)17(22(16)27)12-10-14(3)4)23(28)15-7-6-8-18(26)20(15)25(21)5/h6-10,26-27,29H,11-12H2,1-5H3
InChIKey: ISJBDHUGVDBULE-UHFFFAOYSA-N
Reference
Acridone Alkaloids from the Root Bark of Severinia buxifolia in Hainan.
PubChem CID: 15286416
CAS: 28233-34-3
LOTUS: LTS0103809
SuperNatural Ⅲ: SN0154069
COCONUT: CNP0168867
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus japonica | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 393.4830000000001
TPSA？: 82.69
MolLogP？: 4.825900000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | HepG2 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | MDA-MB-231 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |