SCS-C008347

Talaromynoid G

Pathway: Terpenoids Glycoside

Chemical Structure

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Source Information

Talaromyces purpureogenus SCSIO 41517 (NA)

Original source name: Talaromyces purpureogenus SCSIO 41517 | Talaromyces purpureogenus

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

South China Sea

DOI: 10.1021/acs.jnatprod.1c00681 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

490.5 Da

Threshold ≤ 500

ALogP

0.99

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C25H30O10

Molecular Weight:

490.5050 Da

SMILES:

COC(=O)[C@]12[C@@H]3[C@@H](O)OC[C@@]14OC(=O)[C@]3(C)C[C@H]1C(C)=C3CC(=O)OC(C)(C)[C@@]35O[C@H]5[C@H](O4)[C@@]12C

InChIKey:

                        CNKIQQJLRVJDML-UAKDSNOOSA-N
                        
                    

InChI:

InChI=1S/C25H30O10/c1-10-11-7-13(26)32-20(2,3)25(11)16(34-25)15-22(5)12(10)8-21(4)14-17(27)31-9-23(33-15,35-18(21)28)24(14,22)19(29)30-6/h12,14-17,27H,7-9H2,1-6H3/t12-,14+,15-,16-,17-,21+,22+,23+,24-,25+/m0/s1

Calculated Properties

ALogP:

0.988 lipophilicity

TPSA:

130.12 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

7 (0 aromatic)

Chiral Centers:

Fsp³:

0.8000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008347

NPClassifier Pathway:

Terpenoids

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

Yes

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
Metabolic / Lipid regulation	lipid accumulation inhibitory activity	3T3-L1 adipocytes	Moreover, 7-9 and 12 exhibited the activity of reducing triglyceride in 3T3-L1 adipocytes in a dosage-dependent manner.	10.1021/acs.jnatprod.1c00681 Journal of Natural Products

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