SCS-C000709

microechmycin F

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

298.3 Da

Threshold ≤ 500

ALogP

2.87

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C16H14N2O4

Molecular Weight:

298.3000 Da

SMILES:

COC(=O)c1cccc2oc(-c3cccc(OC)c3N)nc12

InChIKey:

                        IMYIJYXGKQTXJO-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C16H14N2O4/c1-20-11-7-3-5-9(13(11)17)15-18-14-10(16(19)21-2)6-4-8-12(14)22-15/h3-8H,17H2,1-2H3

Calculated Properties

ALogP:

2.872 lipophilicity

TPSA:

87.58 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.1250 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000709

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

No bioactivity data available for this compound.

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