Molecule

Lycogalic Acid A

AlkaPlorer ID: AK024771

Synonym: None

IUPAC Name: 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid

Structure

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

InChI: InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)

InChIKey: FZDVNXHYGMEEDT-UHFFFAOYSA-N

Reference

Isolation and synthesis of 3,4-bis(indol-3-yl)pyrrole-2,5-dicarboxylic acid derivatives from the slime mould Lycogala epidendrum

PubChem CID: 11326613

CAS: 150044-68-1

LOTUS: LTS0102015

COCONUT: CNP0352248

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chromobacterium violaceum	Chromobacterium	Chromobacteriaceae	Neisseriales	Betaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 385.3790000000001

TPSA？: 121.97

MolLogP？: 4.707700000000003

Number of H-Donors: 5

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Herpesviridae sp.	Herpesviridae sp.	IC50	17.2	ug.mL-1	10.1021/np800286d
Mus musculus	Transcription factor HES-1	IC50	6000.0	nM	10.1016/j.bmcl.2009.07.146
Mus musculus	Transcription factor HES-1	Inhibition	60.0	%	10.1016/j.bmcl.2009.07.146
Mus musculus	Transcription factor HES-1	Inhibition	nan	%	10.1016/j.bmcl.2009.07.146

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT015837	N=C(C(=O)O)C(c1c[nH]c2ccccc12)C(C(=N)C(=O)O)c1c[nH]c2ccccc12>>O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12	RXN-18168
AKRT015842	N=C(Cc1c[nH]c2ccccc12)C(=O)O.N=C(Cc1c[nH]c2ccccc12)C(=O)O>>O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12	R11120
AKRT023267	O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12>>O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21	RXN-10924
AKRT023268	O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12>>O=C=O	RXN-10924