α-Cyclopiazonic acid
AlkaPlorer ID: AK293778
Synonym: None
IUPAC Name: 5-acetyl-4-hydroxy-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),4,11(18),12,14-pentaen-6-one
Structure
SMILES: CC(O)=C1C(=O)C2C3C4=CNC5=C4C(=CC=C5)CC3C(C)(C)N2C1=O
InChI: InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3
InChIKey: CNZIQHGDUXRUJS-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 336.39100000000013
TPSA？: 73.4
MolLogP？: 2.8279000000000014
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
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