SCS-C008019

eurotamine F

Pathway: Alkaloids Glycoside

Chemical Structure

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Download: SDF SMILES

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: 10.1021/acs.orglett.5c03641 · Organic Letters

Drug-likeness (Lipinski Ro5)

Molecular Weight

313.4 Da

Threshold ≤ 500

ALogP

3.45

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C19H23NO3

Molecular Weight:

313.3970 Da

SMILES:

CCCCCc1cc2c(cn1)C1(O)OC(C)(C)C=CC1=CC2=O

InChIKey:

                        NEBQHJQUKJGMRR-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C19H23NO3/c1-4-5-6-7-14-11-15-16(12-20-14)19(22)13(10-17(15)21)8-9-18(2,3)23-19/h8-12,22H,4-7H2,1-3H3

Calculated Properties

ALogP:

3.447 lipophilicity

TPSA:

59.42 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (1 aromatic)

Chiral Centers:

Fsp³:

0.4737 fraction sp³ carbon

Database Information

Compound ID:

SCS-C008019

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

N/A

NPClassifier Class:

N/A

Glycoside:

Yes

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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