SCS-C000569

cytosporin L

Pathway: Polyketides Superclass: Chromanes Class: Cytosporins

Chemical Structure

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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Eutypella sp. (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Xylariales Family Diatrypaceae Genus Eutypella Species NA

South China Sea

DOI: 10.1080/14786419.2017.1285301 · Natural Product Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

356.5 Da

Threshold ≤ 500

ALogP

0.81

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H32O6

Molecular Weight:

356.5000 Da

SMILES:

CCCCC/C=C/C1=C(CO)C2OC(C)(C)[C@@H](O)C[C@]2(O)[C@H](O)[C@@H]1O

InChIKey:

                        YIJNGBSLCYIZDT-YIDVLTFMSA-N
                        
                    

InChI:

InChI=1S/C19H32O6/c1-4-5-6-7-8-9-12-13(11-20)17-19(24,16(23)15(12)22)10-14(21)18(2,3)25-17/h8-9,14-17,20-24H,4-7,10-11H2,1-3H3/b9-8+/t14-,15+,16+,17?,19-/m0/s1

Calculated Properties

ALogP:

0.807 lipophilicity

TPSA:

110.38 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (0 aromatic)

Chiral Centers:

Fsp³:

0.7895 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000569

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Cytosporins

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
Antiviral	IC50	RSV	72.01 μM	10.1080/14786419.2017.1285301 Natural Product Research
Antibacterial	MIC	Micrococcus lysodeikticus,Enterobacter aerogenes	3.12 μM	10.1080/14786419.2017.1285301 Natural Product Research

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