SCS-C000488

phomalichenone M

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

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Source Information

Parengyodontium album SCSIO 40430 (NA)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Cordycipitaceae Genus Parengyodontium Species Parengyodontium album

South China Sea

DOI: 10.1039/d1ob00869b · Organic & Biomolecular Chemistry

Drug-likeness (Lipinski Ro5)

Molecular Weight

248.3 Da

Threshold ≤ 500

ALogP

2.64

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H16O4

Molecular Weight:

248.2780 Da

SMILES:

CCc1c(C)oc2c(CC)c(O)cc(O)c2c1=O

InChIKey:

                        JAAGFZFTYHSGQW-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C14H16O4/c1-4-8-7(3)18-14-9(5-2)10(15)6-11(16)12(14)13(8)17/h6,15-16H,4-5H2,1-3H3

Calculated Properties

ALogP:

2.637 lipophilicity

TPSA:

70.67 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.3571 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000488

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Chromanes

NPClassifier Class:

Chromones

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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