SCS-C007039

(±)-farinomalein F

Pathway: Amino acids and Peptides

Chemical Structure

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Source Information

Phomopsis sp. SYSUQYP-23 (fungus)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Diaporthales Family Diaporthaceae Genus Phomopsis Species NA

South China Sea

DOI: 10.1016/j.bioorg.2020.103712 · Bioorganic Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

213.2 Da

Threshold ≤ 500

ALogP

0.49

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H15NO4

Molecular Weight:

213.2330 Da

SMILES:

CC(C)C1CC(=O)N(CCC(=O)O)C1=O

InChIKey:

                        WYEFJHKTAMDFHR-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C10H15NO4/c1-6(2)7-5-8(12)11(10(7)15)4-3-9(13)14/h6-7H,3-5H2,1-2H3,(H,13,14)

Calculated Properties

ALogP:

0.492 lipophilicity

TPSA:

74.68 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.7000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007039

NPClassifier Pathway:

Amino acids and Peptides

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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