SCS-C006007

Eurothiocin C

Pathway: Polyketides Superclass: Aromatic polyketides Class: Simple aromatic polyketides

Chemical Structure

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Source Information

Talaromyces indigoticus FS688 (NA)

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

South China Sea · 2372 m · 118°19.692′ N, 20°38.982′ E

DOI: 10.3390/md20010033 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

312.4 Da

Threshold ≤ 500

ALogP

2.29

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C15H20O5S

Molecular Weight:

312.3870 Da

SMILES:

COc1c(C)c(C(=O)SC)c(O)c2c1O[C@@H](C(C)(C)O)C2

InChIKey:

                        LCXMHRKFFHTPTB-SECBINFHSA-N
                        
                    

InChI:

InChI=1S/C15H20O5S/c1-7-10(14(17)21-5)11(16)8-6-9(15(2,3)18)20-13(8)12(7)19-4/h9,16,18H,6H2,1-5H3/t9-/m1/s1

Calculated Properties

ALogP:

2.287 lipophilicity

TPSA:

75.99 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.5333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006007

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Aromatic polyketides

NPClassifier Class:

Simple aromatic polyketides

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
Enzyme inhibition	inhibitory effect	α-glucosidase	100.0	10.3390/md20010033 Marine Drugs

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