SCS-C003912

gliomasolide E

Pathway: Polyketides Superclass: Macrolides Class: Macrolide lactones

Chemical Structure

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Source Information

Gliomastix sp. (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Bionectriaceae Genus Gliomastix Species NA

Xisha Islands

DOI: 10.1039/c5ra08559d · RSC Advances

Drug-likeness (Lipinski Ro5)

Molecular Weight

328.4 Da

Threshold ≤ 500

ALogP

2.47

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C18H32O5

Molecular Weight:

328.4490 Da

SMILES:

CCCCC[C@@H]1CCCC(O)C[C@@H](O)C[C@H](O)C/C=C/C(=O)O1

InChIKey:

                        CIKXQDGRSUPQKJ-AOLGVUMJSA-N
                        
                    

InChI:

InChI=1S/C18H32O5/c1-2-3-4-9-17-10-5-7-14(19)12-16(21)13-15(20)8-6-11-18(22)23-17/h6,11,14-17,19-21H,2-5,7-10,12-13H2,1H3/b11-6+/t14?,15-,16-,17-/m1/s1

Calculated Properties

ALogP:

2.472 lipophilicity

TPSA:

86.99 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.8333 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003912

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Macrolides

NPClassifier Class:

Macrolide lactones

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD26039

Biological Activity Data

No bioactivity data available for this compound.

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