1,2,7-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1-Me ether
AlkaPlorer ID: AK251898
Synonym: Aristolactam AIa
IUPAC Name: 6,14-dihydroxy-15-methoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
Structure
SMILES: COC1=C(O)C=C2C(O)=NC3=CC4=C(O)C=CC=C4C1=C32
InChI: InChI=1S/C16H11NO4/c1-21-15-12(19)6-9-13-10(17-16(9)20)5-8-7(14(13)15)3-2-4-11(8)18/h2-6,18-19H,1H3,(H,17,20)
InChIKey: WUNSWKSWDUMDTB-UHFFFAOYSA-N
Reference
PubChem CID: 86129027
LOTUS: LTS0084197
SuperNatural Ⅲ: SN0420402
NPASS: NPC55512
COCONUT: CNP0294741
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Meiogyne baillonii | Meiogyne | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aristolochia argentina | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 281.26700000000005
TPSA？: 82.28
MolLogP？: 3.3625000000000007
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 | Neuroepithelial cell-transforming gene 1 protein | Inhibition | 5.0 | % | 10.1021/acs.jnatprod.8b00209 |
| Homo sapiens | Rho guanine nucleotide exchange factor 1 | Inhibition | 0.0 | % | 10.1021/acs.jnatprod.8b00209 |