1,2,7,9-Tetrahydroxydibenz[cd,f]indol-4(5H)-one; 1,2-Methylene, 7-Me ether
AlkaPlorer ID: AK269741
Synonym: Aristolactam IVa
IUPAC Name: 16-hydroxy-14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one
Structure
SMILES: COC1=CC(O)=CC2=C1C=C1NC(=O)C3=CC4=C(OCO4)C2=C13
InChI: InChI=1S/C17H11NO5/c1-21-12-3-7(19)2-9-8(12)4-11-14-10(17(20)18-11)5-13-16(15(9)14)23-6-22-13/h2-5,19H,6H2,1H3,(H,18,20)
InChIKey: ZHRTUUVXZIBPTF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aristolochia contorta | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Aristolochia fangchi | Aristolochia | Aristolochiaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 309.2770000000001
TPSA？: 77.02000000000001
MolLogP？: 3.0016000000000016
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 2 | Activity | nan | None | 10.1016/j.bmcl.2010.01.007 |
| Homo sapiens | Cyclin-dependent kinase 2 | IC50 | 35000.0 | nM | 10.1016/j.bmcl.2010.01.007 |