SCS-C006255

talarodipeptide C

Pathway: 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

256.3 Da

Threshold ≤ 500

ALogP

1.68

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H16N2O2

Molecular Weight:

256.3050 Da

SMILES:

CN1C(=O)c2cccn2[C@@H](O)[C@H]1Cc1ccccc1

InChIKey:

                        NNYKUZYXWOFJFS-HIFRSBDPSA-N
                        
                    

InChI:

InChI=1S/C15H16N2O2/c1-16-13(10-11-6-3-2-4-7-11)15(19)17-9-5-8-12(17)14(16)18/h2-9,13,15,19H,10H2,1H3/t13-,15+/m1/s1

Calculated Properties

ALogP:

1.676 lipophilicity

TPSA:

45.47 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (2 aromatic)

Chiral Centers:

Fsp³:

0.2667 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006255

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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