Caissarone
AlkaPlorer ID: AK291415
Synonym: 3,5,7,9-Tetrahydro-3,9-dimethyl-6-(methylimino)-8H-purin-8-one
IUPAC Name: 3,9-dimethyl-6-methylimino-7H-purin-8-one
Structure
SMILES: C/N=C1\N=CN(C)C2=C1N=C(O)N2C
InChI: InChI=1S/C8H11N5O/c1-9-6-5-7(12(2)4-10-6)13(3)8(14)11-5/h4H,1-3H3,(H,11,14)/b9-6-
InChIKey: HAYMZCLIRZJDNO-TWGQIWQCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amphimedon viridis | Amphimedon | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Bunodosoma caissarum | Bunodosoma | Actiniidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 193.21
TPSA？: 68.22999999999999
MolLogP？: -0.4571000000000005
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | Activity | 80.0 | % | 10.1021/np970021f |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np970021f |