Molecule

Quinocinnolinomycin A

AlkaPlorer ID: AK326042

Synonym: None

IUPAC Name: 3-[(3R)-3-hydroxy-12-methyltridec-1-enyl]-7-(methylamino)cinnoline-5,8-dione

Structure

SMILES: CNC1=CC(=O)C2=CC(C=C[C@H](O)CCCCCCCCC(C)C)=NN=C2C1=O

InChI: InChI=1S/C23H33N3O3/c1-16(2)10-8-6-4-5-7-9-11-18(27)13-12-17-14-19-21(28)15-20(24-3)23(29)22(19)26-25-17/h12-16,18,24,27H,4-11H2,1-3H3/t18-/m1/s1

InChIKey: FMMUVGBTBZRVJU-GOSISDBHSA-N

Reference

Integration of high-content screening and untargeted metabolomics for comprehensive functional annotation of natural product libraries

PubChem CID: 156580471

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NPAtlas: NPA012547

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Roger	Coccinellidae	Coleoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 399.5350000000002

TPSA？: 92.18

MolLogP？: 4.109800000000004

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi