SCS-C003933

gliomasolide F

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: 10.3390/md16070231 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

168.2 Da

Threshold ≤ 500

ALogP

0.80

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C9H12O3

Molecular Weight:

168.1920 Da

SMILES:

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

InChIKey:

                        MLJLIEUWBDRXLT-NBUMFNHOSA-N
                        
                    

InChI:

InChI=1S/C9H12O3/c1-3-4-7(10)9(2)6-5-8(11)12-9/h3-7,10H,1-2H3/b4-3+/t7-,9+/m0/s1

Calculated Properties

ALogP:

0.795 lipophilicity

TPSA:

46.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.4444 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003933

NPClassifier Pathway:

N/A

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

No classification

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD30575

Biological Activity Data

No bioactivity data available for this compound.

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