Iso-α-cyclopiazonic acid
AlkaPlorer ID: AK043783
Synonym: None
IUPAC Name: (2R,3R,9R)-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)C1=C(O)[C@H]2[C@H]3C4=CNC5=CC=CC(=C45)C[C@H]3C(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/h4-6,8,12,16-17,21,24H,7H2,1-3H3/t12-,16+,17-/m1/s1
InChIKey: SZINUGQCTHLQAZ-OAUYIBNBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 336.3910000000001
TPSA？: 73.4
MolLogP？: 2.8279000000000014
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|