SCS-C004005

gliomacid A

Pathway: Fatty acids Superclass: Fatty Acids and Conjugates Class: Branched fatty acids | Unsaturated fatty acids

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

170.2 Da

Threshold ≤ 500

ALogP

1.20

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C9H14O3

Molecular Weight:

170.2080 Da

SMILES:

C/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O

InChIKey:

                        PZWFKAARULQPBT-DPDRAWFQSA-N
                        
                    

InChI:

InChI=1S/C9H14O3/c1-3-4-8(10)7(2)5-6-9(11)12/h3-8,10H,1-2H3,(H,11,12)/b4-3+,6-5+/t7-,8-/m0/s1

Calculated Properties

ALogP:

1.200 lipophilicity

TPSA:

57.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

0.4444 fraction sp³ carbon

Database Information

Compound ID:

SCS-C004005

NPClassifier Pathway:

Fatty acids

NPClassifier Superclass:

Fatty Acids and Conjugates

NPClassifier Class:

Branched fatty acids Unsaturated fatty acids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD30577

Biological Activity Data

No bioactivity data available for this compound.

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