Aristolactam I
AlkaPlorer ID: AK008231
Synonym: 8-Methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 10-Amino-8-methoxy-3,4-methylenedioxy-1-phenanthrenecarboxylic acid lactam, Aristolactam, Aristololactam
IUPAC Name: 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=CC2=C1C=C1N=C(O)C3=CC4=C(OCO4)C2=C13
InChI: InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)
InChIKey: MXOKGWUJNGEKBH-UHFFFAOYSA-N
Reference
Constituents of the Fresh Leaves of Aristolochia cucurbitifolia.
PubChem CID: 96710
CAS: 13395-02-3
LOTUS: LTS0173717
SuperNatural Ⅲ: SN0238100
NPASS: NPC296742
COCONUT: CNP0253983
Source
Properties Information
Molecule Weight: 293.278
TPSA？: 60.28
MolLogP？: 3.6800000000000015
Number of H-Donors: 1
Number of H-Acceptors: 4
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 | 1200.0 | nM | 10.1016/j.bmcl.2010.01.007 |
| Homo sapiens | KB | Activity | nan | None | 10.1021/np50053a011 |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np50053a011 |
| None | Nucleic Acid | Activity | nan | None | 10.1021/np100296y |