N-Methylatalaphyllinine
AlkaPlorer ID: AK139957
Synonym: ''
IUPAC Name: 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one
Structure
SMILES: CC(C)=CCC1=C2OC(C)(C)C=CC2=C2C(=C1O)C(=O)C1=CC=CC(O)=C1N2C
InChI: InChI=1S/C24H25NO4/c1-13(2)9-10-16-22(28)18-20(15-11-12-24(3,4)29-23(15)16)25(5)19-14(21(18)27)7-6-8-17(19)26/h6-9,11-12,26,28H,10H2,1-5H3
InChIKey: JLDLLLFQYFAMHX-UHFFFAOYSA-N
Reference
Acridone alkaloids from Bosistoa transversa
PubChem CID: 633176
CAS: 49620-08-8
LOTUS: LTS0152115
SuperNatural Ⅲ: SN0168381
COCONUT: CNP0218865
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Atalantia ceylanica | Atalantia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.4670000000001
TPSA？: 71.69
MolLogP？: 4.795800000000006
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| dengue virus type 2 | dengue virus type 2 | EC50 | 5300.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | A549 | IC50 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | A549 | IC50 | 9370.0 | nM | 10.1021/np980504z |
| Homo sapiens | CCRF-HSB-2 | IC50 | 5410.0 | nM | 10.1021/np980504z |
| 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 |
| Homo sapiens | Neutrophil | IC50 | 3700.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | Neutrophil | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | TGBC11TKB | IC50 | 2130.0 | nM | 10.1021/np980504z |
| Mus musculus | B16 | IC50 | 8040.0 | nM | 10.1021/np980504z |
| None | Unchecked | Ratio CC50/EC50 | 6.3 | None | 10.1021/acs.jnatprod.7b00938 |