SCS-C007948

talaroterphenyl D

Pathway: Shikimates and Phenylpropanoids Superclass: Terphenyls Class: p-Terphenyls

Chemical Structure

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Source Information

Talaromyces sp. SCSIO 41412 (soft coral-derived fungus)

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

South China Sea

DOI: 10.1021/acs.jnatprod.4c00422 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

308.3 Da

Threshold ≤ 500

ALogP

4.15

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H16O4

Molecular Weight:

308.3330 Da

SMILES:

COc1c(-c2ccc(O)cc2)cc(O)c(-c2ccccc2)c1O

InChIKey:

                        ZMPROJUBHQVOOF-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C19H16O4/c1-23-19-15(12-7-9-14(20)10-8-12)11-16(21)17(18(19)22)13-5-3-2-4-6-13/h2-11,20-22H,1H3

Calculated Properties

ALogP:

4.146 lipophilicity

TPSA:

69.92 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.0526 fraction sp³ carbon

Database Information

Compound ID:

SCS-C007948

NPClassifier Pathway:

Shikimates and Phenylpropanoids

NPClassifier Superclass:

Terphenyls

NPClassifier Class:

p-Terphenyls

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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