7-Allyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
AlkaPlorer ID: AK419041
Synonym: None
IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-sulfanylidene-9H-purine-2,6-dione
Structure
SMILES: C=CCN1C(=S)NC2=C1C(=O)N(C)C(=O)N2C
InChI: InChI=1S/C10H12N4O2S/c1-4-5-14-6-7(11-9(14)17)12(2)10(16)13(3)8(6)15/h4H,1,5H2,2-3H3,(H,11,17)
InChIKey: JCBSZBGKGRAJAC-UHFFFAOYSA-N
Reference
New Cytotoxic Clerodane Diterpenoids from the Leaves and Twigs of <i>Casearia membranacea</i>
Cytotoxic Clerodane Diterpenoids from <i>Casearia </i><i>m</i><i>embranacea</i>
PubChem CID: 712754
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 252.299
TPSA？: 64.72
MolLogP？: 0.2822899999999995
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Legumain | Activity | 18.1 | % | 10.1021/acs.jmedchem.7b00228 |