pegaharmine A
AlkaPlorer ID: AK002049
Synonym: None
IUPAC Name: (1R,11bS)-9-methoxy-11b-methyl-1-(4-oxoquinazolin-3-yl)-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indol-3-one;methanol
Structure
SMILES: C[C@@]12[C@@H](CC(=O)N1CCC3=C2NC4=C3C=CC(=C4)OC)N5C=NC6=CC=CC=C6C5=O.CO.CO
InChI: InChI=1S/C24H22N4O3.2CH4O/c1-24-20(27-13-25-18-6-4-3-5-17(18)23(27)30)12-21(29)28(24)10-9-16-15-8-7-14(31-2)11-19(15)26-22(16)24;2*1-2/h3-8,11,13,20,26H,9-10,12H2,1-2H3;2*2H,1H3/t20-,24+;;/m1../s1
InChIKey: FGODHGWKGBDUME-BWBOJHCNSA-N
Reference
A Series of β-Carboline Alkaloids from the Seeds of Peganum harmala Show G-Quadruplex Interactions
PubChem CID: 168305313
Source
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Properties Information
Molecule Weight: 478.5490000000002
TPSA？: 120.68
MolLogP？: 2.3483000000000005
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 6
Activities Information
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