Molecule

quinocinnolinomycin C

AlkaPlorer ID: AK325600

Synonym: None

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

Structure

SMILES: CCC(C)CCCCCCCC[C@@H](O)C=CC1=CC2=C(N=N1)C(=O)C(NC)=CC2=O

InChI: InChI=1S/C24H35N3O3/c1-4-17(2)11-9-7-5-6-8-10-12-19(28)14-13-18-15-20-22(29)16-21(25-3)24(30)23(20)27-26-18/h13-17,19,25,28H,4-12H2,1-3H3/t17?,19-/m1/s1

InChIKey: WTRVVOIWIXMDPH-WHCXFUJUSA-N

Reference

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

PubChem CID: 156580354

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NPAtlas: NPA002536

Source

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

Properties Information

Molecule Weight: 413.5620000000002

TPSA？: 92.18

MolLogP？: 4.499900000000003

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi