Molecule

1,2,3-Trihydroxydibenz[cd,f]indol-4(5H)-one; 1,3-Di-Me ether

AlkaPlorer ID: AK042291

Synonym: Aristolactam FII, Goniopedaline, Goniopetaline (incorr.)

IUPAC Name: 14-hydroxy-13,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one

SMILES: COC1=C2C(O)=NC3=CC4=CC=CC=C4C(=C32)C(OC)=C1O

InChI: InChI=1S/C17H13NO4/c1-21-15-11-9-6-4-3-5-8(9)7-10-12(11)13(17(20)18-10)16(22-2)14(15)19/h3-7,19H,1-2H3,(H,18,20)

InChIKey: UQUSUGQKCAHMQJ-UHFFFAOYSA-N

PubChem CID: 183523

CAS: 112501-43-6

LOTUS: LTS0268895

SuperNatural Ⅲ: SN0377692

NPASS: NPC22928

COCONUT: CNP0244962

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Fissistigma oldhamii	Fissistigma	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Dasymaschalon	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Goniothalamus amuyon	Goniothalamus	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Pararistolochia	Aristolochiaceae	Piperales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Goniothalamus sesquipedalis	Goniothalamus	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gymnacranthera paniculata	Gymnacranthera	Myristicaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Annona squamosa	Annona	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 295.29400000000004

TPSA？: 71.28

MolLogP？: 3.665500000000002

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	KB	Activity	nan	None	10.1021/np50053a011
Mus musculus	P388	Activity	nan	None	10.1021/np50053a011
None	ADMET	CC50	24700.0	nM	10.1016/j.bmc.2006.10.034
None	B-cell	IC50	3960.0	nM	10.1016/j.bmc.2006.10.034
None	Platelet	Inhibition	6.7	%	10.1021/np000063v
None	Platelet	Inhibition	8.5	%	10.1021/np000063v
None	Platelet	Inhibition	9.7	%	10.1021/np000063v
None	Platelet	Inhibition	14.5	%	10.1021/np000063v
None	Platelet	Inhibition	16.5	%	10.1021/np000063v
None	Platelet	Inhibition	52.5	%	10.1021/np000063v
None	Platelet	Inhibition	81.7	%	10.1021/np000063v
None	Platelet	Inhibition	83.9	%	10.1021/np000063v
None	Platelet	Inhibition	85.4	%	10.1021/np000063v
None	T-cell	IC50	10000.0	nM	10.1016/j.bmc.2006.10.034
None	T-cell	Ratio CC50/IC50	6.0	None	10.1016/j.bmc.2006.10.034
None	Unchecked	Ratio CC50/IC50	2.0	None	10.1016/j.bmc.2006.10.034