SCS-C006253

talarodipeptide A

Pathway: Alkaloids Superclass: Lysine alkaloids

Chemical Structure

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Source Information

Talaromyces sp. (soft coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Trichocomaceae Genus Talaromyces Species NA

South China Sea

DOI: 10.3390/md22120559 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

258.3 Da

Threshold ≤ 500

ALogP

0.85

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H14N2O3

Molecular Weight:

258.2770 Da

SMILES:

O=C1N/C(=C\c2ccc(O)cc2)C(=O)N2CCC[C@@H]12

InChIKey:

                        HJFLALXHRSDCER-KGTBHZDVSA-N
                        
                    

InChI:

InChI=1S/C14H14N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,8,12,17H,1-2,7H2,(H,15,18)/b11-8-/t12-/m0/s1

Calculated Properties

ALogP:

0.854 lipophilicity

TPSA:

69.64 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.2857 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006253

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Lysine alkaloids

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
Antioxidant	EC50	DPPH radical	27.62 μg/mL	10.3390/md22120559 Marine Drugs

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