Maculine
AlkaPlorer ID: AK002844
Synonym: None
IUPAC Name: 8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaene
Structure
SMILES: COC1=C2C=COC2=NC2=CC3=C(C=C12)OCO3
InChI: InChI=1S/C13H9NO4/c1-15-12-7-2-3-16-13(7)14-9-5-11-10(4-8(9)12)17-6-18-11/h2-5H,6H2,1H3
InChIKey: VPNYHHBCMOYPCJ-UHFFFAOYSA-N
Reference
PubChem CID: 68232
CAS: 524-89-0
LOTUS: LTS0036915
SuperNatural Ⅲ: SN0396654
COCONUT: CNP0115082
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Flindersia maculosa | Flindersia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 243.218
TPSA？: 53.72000000000001
MolLogP？: 2.718300000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 4.0 | ug.mL-1 | 10.1021/np020578h |
| Homo sapiens | A549 | IC50 | 9500.0 | nM | 10.1021/np800276f |
| None | Unchecked | IC50 | nan | None | 10.1016/j.ejmech.2020.112982 |