SCS-C000400

arthproliferin D

Pathway: Polyketides Superclass: Xanthones Class: Methyl xanthones

Chemical Structure

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Source Information

Stachybotrys chartarum SCSIO 41201 (soft coral-derived fungus)

Original source name: Stachybotrys chartarum SCSIO41201

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Hypocreales Family Stachybotryaceae Genus Stachybotrys Species Stachybotrys chartarum

South China Sea

DOI: 10.1038/s41429-020-00386-y · The Journal of Antibiotics

Drug-likeness (Lipinski Ro5)

Molecular Weight

358.4 Da

Threshold ≤ 500

ALogP

2.13

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C20H22O6

Molecular Weight:

358.4000 Da

SMILES:

Cc1cc2oc3cccc(CO)c3c(=O)c2c(O)c1C[C@@H](O)C(C)(C)O

InChIKey:

                        CUMAXBAGXFYJCK-OAHLLOKOSA-N
                        
                    

InChI:

InChI=1S/C20H22O6/c1-10-7-14-17(18(23)12(10)8-15(22)20(2,3)25)19(24)16-11(9-21)5-4-6-13(16)26-14/h4-7,15,21-23,25H,8-9H2,1-3H3/t15-/m1/s1

Calculated Properties

ALogP:

2.127 lipophilicity

TPSA:

111.13 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

3 (3 aromatic)

Chiral Centers:

Fsp³:

0.3500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C000400

NPClassifier Pathway:

Polyketides

NPClassifier Superclass:

Xanthones

NPClassifier Class:

Methyl xanthones

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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