SCS-C000570

cytosporin D

Pathway: Polyketides Superclass: Chromanes Class: Cytosporins

Chemical Structure

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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

338.4 Da

Threshold ≤ 500

ALogP

1.85

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H30O5

Molecular Weight:

338.4000 Da

SMILES:

CCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]23O[C@H]3[C@@H]1O

InChIKey:

                        BAJVQMTZYHWAMD-UDIPEWIUSA-N
                        
                    

InChI:

InChI=1S/C19H30O5/c1-4-5-6-7-8-9-12-13(11-20)16-19(17(24-19)15(12)22)10-14(21)18(2,3)23-16/h8-9,14-17,20-22H,4-7,10-11H2,1-3H3/b9-8+/t14-,15+,16-,17-,19+/m0/s1

Calculated Properties

ALogP:

1.852 lipophilicity

TPSA:

82.45 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (0 aromatic)

Chiral Centers:

Fsp³:

0.7895 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000570

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
Antibacterial	IC50	RSV;Escherichia coli,Staphylococcus aureus	30.25 μM	10.1080/14786419.2017.1285301 Natural Product Research

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