Nuttingin B
AlkaPlorer ID: AK077732
Synonym: '', 'nuttingin B'
IUPAC Name: 1,3-dimethyl-7-(3,7,11,15-tetramethyl-13-oxohexadeca-2,6,11-trienyl)purine-2,6-dione
Structure
SMILES: CC(=CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)CCC=C(C)CCCC(C)=CC(=O)CC(C)C
InChI: InChI=1S/C27H40N4O3/c1-19(2)16-23(32)17-22(5)13-9-11-20(3)10-8-12-21(4)14-15-31-18-28-25-24(31)26(33)30(7)27(34)29(25)6/h10,14,17-19H,8-9,11-13,15-16H2,1-7H3
InChIKey: AGFODGWANODHCG-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 468.6420000000004
TPSA？: 78.89
MolLogP？: 4.838300000000005
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 2
Activities Information
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