Molecule

Quinocinnolinomycin B

AlkaPlorer ID: AK326156

Synonym: None

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

Structure

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

InChI: InChI=1S/C23H33N3O3/c1-3-4-5-6-7-8-9-10-11-12-18(27)14-13-17-15-19-21(28)16-20(24-2)23(29)22(19)26-25-17/h13-16,18,24,27H,3-12H2,1-2H3/t18-/m1/s1

InChIKey: HKRWFFVOAZIRBL-GOSISDBHSA-N

Reference

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

PubChem CID: 156580503

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NPAtlas: NPA015067

Source

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

Properties Information

Molecule Weight: 399.53500000000014

TPSA？: 92.18

MolLogP？: 4.2539000000000025

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi