Molecule

Quinocinnolinomycin D

AlkaPlorer ID: AK325799

Synonym: None

IUPAC Name: 3-[(3R)-3-hydroxy-13-methyltetradec-1-enyl]-7-(methylamino)cinnoline-5,8-dione

Structure

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

InChI: InChI=1S/C24H35N3O3/c1-17(2)11-9-7-5-4-6-8-10-12-19(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/t19-/m1/s1

InChIKey: HHOLQDXTONXHBU-LJQANCHMSA-N

Reference

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

PubChem CID: 156580404

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NPAtlas: NPA006887

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？: 4.499900000000005

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi