SCS-C000641

cladosin G

Pathway: Alkaloids Superclass: Tetramate alkaloids Class: Simple tetramate alkaloids

Chemical Structure

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Source Information

Cladosporium sphaerospermum (NA)

Kingdom Fungi Phylum Ascomycota Class Dothideomycetes Order Cladosporiales Family Cladosporiaceae Genus Cladosporium Species Cladosporium sphaerospermum

South China Sea · #NAME?

DOI: 10.1080/10286020.2014.940330 · Journal of Asian Natural Products Research

Drug-likeness (Lipinski Ro5)

Molecular Weight

282.3 Da

Threshold ≤ 500

ALogP

1.42

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H22N2O4

Molecular Weight:

282.3400 Da

SMILES:

CO[C@@H](CC(=N)C1=C(O)C(=C(C)C)NC1=O)C[C@H](C)O

InChIKey:

                        CYHZQRBITGKZIX-DTWKUNHWSA-N
                        
                    

InChI:

InChI=1S/C14H22N2O4/c1-7(2)12-13(18)11(14(19)16-12)10(15)6-9(20-4)5-8(3)17/h8-9,15,17-18H,5-6H2,1-4H3,(H,16,19)/t8-,9+/m0/s1

Calculated Properties

ALogP:

1.418 lipophilicity

TPSA:

102.64 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.5714 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000641

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Tetramate alkaloids

NPClassifier Class:

Simple tetramate alkaloids

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
Antiviral	—	influenza A H1N1 virus	— Structured numeric value is not available in this record; see the primary reference.	10.1080/10286020.2014.940330 Journal of Asian Natural Products Research

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