SCS-C008348

Talaromynoid H

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

476.5 Da

Threshold ≤ 500

ALogP

1.09

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C24H28O10

Molecular Weight:

476.4780 Da

SMILES:

CC1=C2CC(=O)OC(C)(C)[C@]23O[C@@H]3[C@H]2O[C@@]3(O)[C@@H](C)O[C@@H]4OC(=O)[C@]35[C@@]2(C)[C@@H]1C[C@]5(C)C(=O)O4

InChIKey:

                        SXIWUYWTZWQZLY-WZDBJSDMSA-N
                        
                    

InChI:

InChI=1S/C24H28O10/c1-9-11-7-13(25)32-19(3,4)22(11)15(33-22)14-21(6)12(9)8-20(5)16(26)30-18-29-10(2)24(28,34-14)23(20,21)17(27)31-18/h10,12,14-15,18,28H,7-8H2,1-6H3/t10-,12-,14-,15-,18+,20-,21+,22+,23+,24+/m1/s1

Calculated Properties

ALogP:

1.088 lipophilicity

TPSA:

130.12 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

7 (0 aromatic)

Chiral Centers:

Fsp³:

0.7917 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008348

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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