SCS-C007745

talaraculone H

Pathway: Polyketides Superclass: Chromanes Class: Azaphilones

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: 10.1002/cbdv.202500201 · Chemistry & Biodiversity

Drug-likeness (Lipinski Ro5)

Molecular Weight

446.5 Da

Threshold ≤ 500

ALogP

2.07

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C23H26O9

Molecular Weight:

446.4520 Da

SMILES:

CC(=O)OCCCC1=CC2=CC(=O)C(C)(O)C(OC(=O)c3c(C)cc(O)cc3O)C2CO1

InChIKey:

                        UKWPRDUEQVXFEK-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C23H26O9/c1-12-7-15(25)10-18(26)20(12)22(28)32-21-17-11-31-16(5-4-6-30-13(2)24)8-14(17)9-19(27)23(21,3)29/h7-10,17,21,25-26,29H,4-6,11H2,1-3H3

Calculated Properties

ALogP:

2.065 lipophilicity

TPSA:

139.59 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.4348 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007745

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Azaphilones

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
Anti-inflammatory	IC50	nitric oxide production	54.87–61.43 μM	10.1002/cbdv.202500201 Chemistry & Biodiversity

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