SCS-C008092

tenellic acid C

Pathway: Polyketides Superclass: Diphenyl ethers (DPEs) Class: Fungal DPEs

Chemical Structure

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Source Information

Talaromyces sp. SBE-14 (soft coral-derived fungus)

Original source name: Talaromyces sp. (SBE-14)

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

South China Sea

DOI: 10.1002/mrc.2405 · Magnetic Resonance in Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

430.5 Da

Threshold ≤ 500

ALogP

4.66

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C23H26O8

Molecular Weight:

430.4530 Da

SMILES:

COc1c(C(CC(C)C)OC(C)=O)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O

InChIKey:

                        IGGGJHYOBPGVLF-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C23H26O8/c1-12(2)8-19(30-14(4)25)16-6-7-18(20(23(27)28)22(16)29-5)31-21-15(11-24)9-13(3)10-17(21)26/h6-7,9-12,19,26H,8H2,1-5H3,(H,27,28)

Calculated Properties

ALogP:

4.662 lipophilicity

TPSA:

119.36 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.3478 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008092

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Diphenyl ethers (DPEs)

NPClassifier Class:

Fungal DPEs

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
Antibacterial	—	Staphylococcus aureus	— Structured numeric value is not available in this record; see the primary reference.	10.1002/mrc.2405 Magnetic Resonance in Chemistry

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