Discadenine

AlkaPlorer ID: AK105126

Synonym: None

IUPAC Name: 2-amino-4-[6-(3-methylbut-2-enylimino)-7H-purin-3-yl]butanoic acid

Structure

SMILES: CC(C)=CCN=C1N=CN(CCC(N)C(=O)O)C2=C1NC=N2

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InChI: InChI=1S/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10H,4-6,15H2,1-2H3,(H,17,18)(H,21,22)

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InChIKey: VSABNZFZVFUZGA-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 304.354

TPSA: 122.18000000000002

MolLogP: 0.4283000000000009

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information