SCS-C001285
euroticin G
Pathway: Polyketides | Terpenoids
Superclass: Meroterpenoids
Chemical Structure
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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
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
348.4 Da
Threshold ≤ 500
ALogP
3.52
Threshold ≤ 5
H-Bond Donors
3
Threshold ≤ 5
H-Bond Acceptors
5
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C20H28O5
Molecular Weight:
348.4000 Da
SMILES:
CO[C@H]1O[C@H]2CC[C@@H]([C@H](C)O)[C@@H]2c2c(O)cc(CC=C(C)C)c(O)c21
InChIKey:
BDBANSLJWSXVJK-WJZADTRRSA-N
InChI:
InChI=1S/C20H28O5/c1-10(2)5-6-12-9-14(22)17-16-13(11(3)21)7-8-15(16)25-20(24-4)18(17)19(12)23/h5,9,11,13,15-16,20-23H,6-8H2,1-4H3/t11-,13-,15-,16-,20-/m0/s1
Calculated Properties
ALogP:
3.525 lipophilicity
TPSA:
79.15 Ų polar surface area
H-Bond Donors:
3
H-Bond Acceptors:
5
Rotatable Bonds:
4
Ring Count:
3
(1 aromatic)
Chiral Centers:
5
Fsp³:
0.6000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C001285
NPClassifier Pathway:
Polyketides
Terpenoids
NPClassifier Superclass:
Meroterpenoids
NPClassifier Class:
N/A
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
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 |
|---|---|---|---|---|
| Antioxidant | EC50 | DPPH radical | 76.9 ± 0.99 μM | 10.3390/md19100543 Marine Drugs |
| Enzyme inhibition | IC50 | α-glucosidase | 38.04 ± 2.73 μM | 10.3390/md19100543 Marine Drugs |