SCS-C000268

fumiquinazoline L

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

Chemical Structure

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Download: SDF SMILES

Source Information

Scopulariopis sp. (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Microascales Family Microascaceae Genus Scopulariopsis Species NA

South China Sea

DOI: 10.1021/np4002042 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

473.5 Da

Threshold ≤ 500

ALogP

0.32

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C25H23N5O5

Molecular Weight:

473.5000 Da

SMILES:

C[C@]1(O)NC(=O)[C@@H](C[C@@]2(O)c3ccccc3N3C(=O)C4(CC4)N[C@@H]32)n2c1nc1ccccc1c2=O

InChIKey:

                        LKZFZDRHGYBXFJ-VZUVYGPKSA-N
                        
                    

InChI:

InChI=1S/C25H23N5O5/c1-23(34)20-26-15-8-4-2-6-13(15)19(32)29(20)17(18(31)27-23)12-25(35)14-7-3-5-9-16(14)30-21(25)28-24(10-11-24)22(30)33/h2-9,17,21,28,34-35H,10-12H2,1H3,(H,27,31)/t17-,21+,23-,25-/m1/s1

Calculated Properties

ALogP:

0.319 lipophilicity

TPSA:

136.79 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

7 (3 aromatic)

Chiral Centers:

Fsp³:

0.3600 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000268

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Anthranilic acid alkaloids

NPClassifier Class:

Quinazoline 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
Antibacterial	MIC	Bacillus subtilis; Staphylococcus albus; Vibrio parahemolyticus	50.0 μM	10.1021/np4002042 Journal of Natural Products

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