SCS-C005525

(±)-eurotiumide G

Pathway: Polyketides

Chemical Structure

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Source Information

Eurotium sp. (gorgonian-derived fungus)

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

South China Sea

DOI: 10.1016/j.tet.2014.08.055 · Tetrahedron

Drug-likeness (Lipinski Ro5)

Molecular Weight

360.5 Da

Threshold ≤ 500

ALogP

5.55

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

1 violation (ALogP) — borderline drug-like

Chemical Properties

Molecular Formula:

C22H32O4

Molecular Weight:

360.4940 Da

SMILES:

CCCCC[C@H]1C[C@@H](OC)c2c3c(cc(O)c2[C@H]1OC)C=CC(C)(C)O3

InChIKey:

                        FOPLWCNNWPOBIG-NQYLQCIDSA-N
                        
                    

InChI:

InChI=1S/C22H32O4/c1-6-7-8-9-14-13-17(24-4)19-18(20(14)25-5)16(23)12-15-10-11-22(2,3)26-21(15)19/h10-12,14,17,20,23H,6-9,13H2,1-5H3/t14-,17+,20-/m0/s1

Calculated Properties

ALogP:

5.552 lipophilicity

TPSA:

47.92 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.6364 fraction sp³ carbon

Database Information

Compound ID:

SCS-C005525

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 CMNPD: CMNPD24694

Biological Activity Data

No bioactivity data available for this compound.

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