Molecule

Lycogarubin B

AlkaPlorer ID: AK054787

Synonym: None

IUPAC Name: dimethyl 3-(5-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylate

Structure

SMILES: COC(=O)C1=C(C2=CNC3=CC=CC=C23)C(C2=CNC3=CC=C(O)C=C23)=C(C(=O)OC)N1

InChI: InChI=1S/C24H19N3O5/c1-31-23(29)21-19(15-10-25-17-6-4-3-5-13(15)17)20(22(27-21)24(30)32-2)16-11-26-18-8-7-12(28)9-14(16)18/h3-11,25-28H,1-2H3

InChIKey: SZBJDRXMLSSPCV-UHFFFAOYSA-N

Reference

New Bisindole Alkaloids Isolated from Myxomycetes Arcyria cinerea and Lycogala epidendrum.

PubChem CID: 11441783

CAS: 154071-67-7

LOTUS: LTS0036014

COCONUT: CNP0123741

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota
Lycogala epidendrum	Lycogala	Enteridiidae	Liceales	Eumycetozoa	Evosea	None	Eukaryota

Properties Information

Molecule Weight: 429.4320000000002

TPSA？: 120.20000000000002

MolLogP？: 4.590100000000002

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	cAMP-dependent protein kinase (PKA)	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	cAMP-dependent protein kinase (PKA)	Inhibition	nan	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Epidermal growth factor receptor erbB1	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Jurkat	IC50	18.0	ug.mL-1	10.1016/j.bmcl.2005.03.103
Homo sapiens	KB 3-1	IC50	25.0	ug.mL-1	10.1016/j.bmcl.2005.03.103
Homo sapiens	Protein kinase C (PKC)	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Serine/threonine-protein kinase EEF2K	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Tyrosine-protein kinase SRC	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Homo sapiens	Vascular endothelial growth factor receptor 1	Inhibition	50.0	%	10.1016/j.bmcl.2005.03.103
Influenza A virus (A/Puerto Rico/8/1934(H1N1))	Polymerase acidic protein	Inhibition	nan	%	10.1371/journal.pone.0019825
Mus musculus	Transcription factor HES-1	IC50	16500.0	nM	10.1016/j.bmcl.2009.07.146