Atolaphyllidine
AlkaPlorer ID: AK040958
Synonym: None
IUPAC Name: 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
Structure
SMILES: CC1(C)C=CC2=C3NC4=C(O)C=CC=C4C(=O)C3=C(O)C=C2O1
InChI: InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
InChIKey: QMIBOFBCPAGGAC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis parviflora | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 309.321
TPSA？: 82.55
MolLogP？: 3.276700000000001
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 6980.0 | nM | 10.1021/np980504z |
| Homo sapiens | A549 | IC50 | 7800.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | CCRF-HSB-2 | IC50 | 4650.0 | nM | 10.1021/np980504z |
| Homo sapiens | Cyclin-dependent kinase 1 | IC50 | 10000.0 | nM | 10.1021/np400856h |
| Homo sapiens | Cyclin-dependent kinase 5 | IC50 | 10000.0 | nM | 10.1021/np400856h |
| Homo sapiens | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | IC50 | 2200.0 | nM | 10.1021/np400856h |
| Homo sapiens | Dual specificty protein kinase CLK1 | IC50 | 10000.0 | nM | 10.1021/np400856h |
| Homo sapiens | Glycogen synthase kinase-3 | IC50 | 10000.0 | nM | 10.1021/np400856h |
| Homo sapiens | HepG2 | IC50 | 7300.0 | nM | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | MDA-MB-231 | IC50 | nan | None | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | TGBC11TKB | IC50 | 2830.0 | nM | 10.1021/np980504z |
| Mus musculus | B16 | IC50 | 5580.0 | nM | 10.1021/np980504z |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/np400856h |