SCS-C003173

prolipyrone B

Pathway: Polyketides Superclass: Cyclic polyketides Class: 2-pyrone derivatives

Chemical Structure

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Download: SDF SMILES

Source Information

Fusarium proliferatum (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Nectriaceae Genus Fusarium Species Fusarium proliferatum

Hainan Island

DOI: 10.1002/hlca.201200195 · Helvetica Chimica Acta

Drug-likeness (Lipinski Ro5)

Molecular Weight

210.2 Da

Threshold ≤ 500

ALogP

0.62

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H10O5

Molecular Weight:

210.1850 Da

SMILES:

C/C(=C\C(=O)O)c1ccc(CO)c(=O)o1

InChIKey:

                        QSBSCWLRCSPNST-GQCTYLIASA-N
                        
                    

InChI:

InChI=1S/C10H10O5/c1-6(4-9(12)13)8-3-2-7(5-11)10(14)15-8/h2-4,11H,5H2,1H3,(H,12,13)/b6-4+

Calculated Properties

ALogP:

0.620 lipophilicity

TPSA:

87.74 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.2000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003173

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Cyclic polyketides

NPClassifier Class:

2-pyrone derivatives

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas CMNPD: CMNPD23578

Biological Activity Data

No bioactivity data available for this compound.

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