6-imino-1,7-dimethyl-3-[(1E)-3-methylbuta-1,3-dien-1-yl]purin-2-one
AlkaPlorer ID: AK078876
Synonym: None
IUPAC Name: 6-imino-1,7-dimethyl-3-(3-methylbuta-1,3-dienyl)purin-2-one
Structure
SMILES: C=C(C)C=CN1C(=O)N(C)C(=N)C2=C1N=CN2C
InChI: InChI=1S/C12H15N5O/c1-8(2)5-6-17-11-9(15(3)7-14-11)10(13)16(4)12(17)18/h5-7,13H,1H2,2-4H3
InChIKey: MAAUOEYBVFQDIJ-UHFFFAOYSA-N
Reference
Dioicine: A Novel Prenylated Purine Alkaloid from Gymnocladus dioicus
PubChem CID: 163088632
LOTUS: LTS0012873
COCONUT: CNP0404697
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gymnocladus dioicus | Gymnocladus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 245.286
TPSA？: 68.6
MolLogP？: 0.5997699999999997
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|