Glycocitrine I
AlkaPlorer ID: AK011868
Synonym: None
IUPAC Name: 1,5-dihydroxy-3-methoxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
Structure
SMILES: COC1=CC(O)=C2C(=O)C3=CC=CC(O)=C3N(C)C2=C1CC=C(C)C
InChI: InChI=1S/C20H21NO4/c1-11(2)8-9-12-16(25-4)10-15(23)17-19(12)21(3)18-13(20(17)24)6-5-7-14(18)22/h5-8,10,22-23H,9H2,1-4H3
InChIKey: ICOVYJLPIYGGGL-UHFFFAOYSA-N
Reference
Coumarins, acridone alkaloids and a flavone from Citrus grandis
PubChem CID: 11724762
CAS: 82354-36-7
LOTUS: LTS0114432
SuperNatural Ⅲ: SN0142006
COCONUT: CNP0155117
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 339.39100000000013
TPSA？: 71.69
MolLogP？: 3.6202000000000014
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 | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00938 |
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Homo sapiens | CCRF-HSB-2 | IC50 | 40000.0 | 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 | TGBC11TKB | IC50 | 40000.0 | nM | 10.1021/np980504z |
| Mus musculus | B16 | IC50 | 40000.0 | nM | 10.1021/np980504z |