SCS-C000374

cladospolide F

Pathway: Polyketides

Chemical Structure

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Source Information

Cladosporium sp. TZP-29 (gorgonian-derived fungus)

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

South China Sea

DOI: 10.1016/j.bmcl.2015.06.072 · Bioorganic & Medicinal Chemistry Letters

Drug-likeness (Lipinski Ro5)

Molecular Weight

230.3 Da

Threshold ≤ 500

ALogP

1.38

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C12H22O4

Molecular Weight:

230.3000 Da

SMILES:

C[C@@H](O)CCCCCC[C@H]1OC(=O)C[C@@H]1O

InChIKey:

                        PZPWIVLDUYGWEU-OUAUKWLOSA-N
                        
                    

InChI:

InChI=1S/C12H22O4/c1-9(13)6-4-2-3-5-7-11-10(14)8-12(15)16-11/h9-11,13-14H,2-8H2,1H3/t9-,10+,11-/m1/s1

Calculated Properties

ALogP:

1.384 lipophilicity

TPSA:

66.76 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (0 aromatic)

Chiral Centers:

Fsp³:

0.9167 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000374

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

No bioactivity data available for this compound.

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