SCS-C006190

Quinolactacin B

Pathway: Alkaloids Superclass: Anthranilic acid alkaloids Class: Acridone alkaloids

Chemical Structure

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Source Information

Penicillium sp. (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Penicillium Species NA

South China Sea

DOI: 10.3390/md17070398 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

256.3 Da

Threshold ≤ 500

ALogP

1.98

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H16N2O2

Molecular Weight:

256.3050 Da

SMILES:

CC(C)C1NC(=O)c2c1n(C)c1ccccc1c2=O

InChIKey:

                        YCGFIOZHNUQYSK-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C15H16N2O2/c1-8(2)12-13-11(15(19)16-12)14(18)9-6-4-5-7-10(9)17(13)3/h4-8,12H,1-3H3,(H,16,19)

Calculated Properties

ALogP:

1.979 lipophilicity

TPSA:

51.10 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.3333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006190

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Anthranilic acid alkaloids

NPClassifier Class:

Acridone alkaloids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Antitumor	—	human gastric cancer cells MGC803, human breast cancer cells MDA-MB-231, human prostate cancer cells C4-2B, human osteosarcoma 143B, human lung cancer cells A549	> 5.0 μM	10.3390/md17070398 Marine Drugs
Antibacterial	—	A. baumannii, K. pneumoniae, E. coli, S. aureus, E. faecalis	> 100.0 μg/mL	10.3390/md17070398 Marine Drugs

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