Molecule

Aristolactam IIIa

AlkaPlorer ID: AK025580

Synonym: 10-Hydroxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one

IUPAC Name: 16-hydroxy-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

SMILES: OC1=NC2=CC3=C(C=C(O)C=C3)C3=C4OCOC4=CC1=C23

InChI: InChI=1S/C16H9NO4/c18-8-2-1-7-3-11-13-10(16(19)17-11)5-12-15(21-6-20-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,17,19)

InChIKey: XCYLMCOZDQCDRH-UHFFFAOYSA-N

PubChem CID: 5319620

CAS: 97399-89-8

LOTUS: LTS0192481

SuperNatural Ⅲ: SN0426794

NPASS: NPC112676

COCONUT: CNP0198803

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aristolochia mollissima	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia tuberosa	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia contorta	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia debilis	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aristolochia argentina	Aristolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 279.251

TPSA？: 71.28000000000002

MolLogP？: 3.3770000000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

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	2150.0	nM	10.1016/j.bmcl.2010.01.007