SCS-C000704

microechmycin A

Pathway: Alkaloids

Chemical Structure

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Source Information

Micromonospora sp. SCSIO 07395 (NA)

Kingdom Bacillati Phylum Actinomycetota Class Actinomycetes Order Micromonosporales Family Micromonosporaceae Genus Micromonospora Species NA

South China Sea · -96m

DOI: 10.3390/molecules28020821 · Molecules

Drug-likeness (Lipinski Ro5)

Molecular Weight

284.3 Da

Threshold ≤ 500

ALogP

2.78

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H12N2O4

Molecular Weight:

284.2710 Da

SMILES:

COc1cccc(-c2nc3c(C(=O)O)cccc3o2)c1N

InChIKey:

                        VVNWISVKOFOVAL-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C15H12N2O4/c1-20-10-6-2-4-8(12(10)16)14-17-13-9(15(18)19)5-3-7-11(13)21-14/h2-7H,16H2,1H3,(H,18,19)

Calculated Properties

ALogP:

2.784 lipophilicity

TPSA:

98.58 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.0667 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000704

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

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	—	Micrococcus luteus SCSIO ML01	8 μg mL-1	10.3390/molecules28020821 Molecules

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