Molecule

Leucosolenamine A

AlkaPlorer ID: AK073928

Synonym: None

IUPAC Name: 5-amino-6-[[2-amino-5-(1,3-benzodioxol-5-ylmethyl)imidazol-4-ylidene]amino]-1,3-dimethylpyrimidine-2,4-dione

Structure

SMILES: CN1C(N=C2NC(=N)N=C2CC2=CC=C3OCOC3=C2)=C(N)C(=O)N(C)C1=O

InChI: InChI=1S/C17H17N7O4/c1-23-14(12(18)15(25)24(2)17(23)26)21-13-9(20-16(19)22-13)5-8-3-4-10-11(6-8)28-7-27-10/h3-4,6H,5,7,18H2,1-2H3,(H2,19,21,22)

InChIKey: BPZXNQQIFZPXQZ-UHFFFAOYSA-N

Reference

A Distinctive Structural Twist in the Aminoimidazole Alkaloids from a Calcareous Marine Sponge: Isolation and Characterization of Leucosolenamines A and B

PubChem CID: 102471029

LOTUS: LTS0246599

NPASS: NPC181905

COCONUT: CNP0134848

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Leucosolenia sp.	Leucosolenia	Leucosoleniidae	Leucosolenida	Calcarea	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 383.36800000000017

TPSA？: 149.08

MolLogP？: -0.3534299999999999

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	MC-38	IZ	10.5	mm	10.1021/np060462b
None	ADMET	IZ	0.0	mm	10.1021/np060462b
None	ADMET	IZ	10.5	mm	10.1021/np060462b