UNPD153624
AlkaPlorer ID: AK223340
Synonym: None
IUPAC Name: 7-methyl-1,3-bis(3-methylbut-2-enyl)purine-2,6-dione
Structure
SMILES: CC(C)=CCN1C(=O)C2=C(N=CN2C)N(CC=C(C)C)C1=O
InChI: InChI=1S/C16H22N4O2/c1-11(2)6-8-19-14-13(18(5)10-17-14)15(21)20(16(19)22)9-7-12(3)4/h6-7,10H,8-9H2,1-5H3
InChIKey: YEHJLZKHWUGOFE-UHFFFAOYSA-N
Reference
A xanthine alkaloid from the leaves of Bosistoa floydii
PubChem CID: 67659952
LOTUS: LTS0112167
SuperNatural Ⅲ: SN0448069
COCONUT: CNP0242929
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 302.3780000000001
TPSA？: 61.82
MolLogP？: 1.8291
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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