SCS-C001286

euroticin H

Pathway: Polyketides

Chemical Structure

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Source Information

Eurotium sp. SCSIO F452 (gorgonian-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Eurotium Species NA

South China Sea

DOI: 10.3390/md19100543 · Marine Drugs

Drug-likeness (Lipinski Ro5)

Molecular Weight

316.4 Da

Threshold ≤ 500

ALogP

3.63

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H24O4

Molecular Weight:

316.4000 Da

SMILES:

CCCCCC1(O)Cc2c3c(cc(O)c2C1=O)C=CC(C)(C)O3

InChIKey:

                        KLVFMQKJCKDEQN-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C19H24O4/c1-4-5-6-8-19(22)11-13-15(17(19)21)14(20)10-12-7-9-18(2,3)23-16(12)13/h7,9-10,20,22H,4-6,8,11H2,1-3H3

Calculated Properties

ALogP:

3.627 lipophilicity

TPSA:

66.76 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.5263 fraction sp³ carbon

Database Information

Compound ID:

SCS-C001286

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

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
Enzyme inhibition	IC50	α-glucosidase	16.31 ± 1.68 μM	10.3390/md19100543 Marine Drugs

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