1,2-Dihydroxydibenz[cd,f]indol-4(5H)-one; Methylene ether
AlkaPlorer ID: AK008186
Synonym: Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 10-Amino-3,4-methylenedioxy-1-phenanthrenecarboxylic acid lactam, Aristolactam II, Cepharanone A
IUPAC Name: 3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(19),2(6),7,11,13,15,17-heptaen-9-one
Structure
SMILES: OC1=NC2=CC3=CC=CC=C3C3=C4OCOC4=CC1=C23
InChI: InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18)
InChIKey: KPVDACWQNCRKTG-UHFFFAOYSA-N
Reference
Seven aristololactams from Aristolochia argentina
PubChem CID: 148745
CAS: 55610-00-9
LOTUS: LTS0099156
SuperNatural Ⅲ: SN0192148
NPASS: NPC69213
COCONUT: CNP0285499
Source
Properties Information
Molecule Weight: 263.25199999999995
TPSA？: 51.05000000000001
MolLogP？: 3.671400000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
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 | 15000.0 | nM | 10.1016/j.bmcl.2010.01.007 |
| None | Nucleic Acid | Activity | nan | None | 10.1021/np100296y |