SCS-C003907

corynechromone K

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

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Source Information

Corynespora cassiicola (NA)

Kingdom Fungi Phylum Ascomycota Class Dothideomycetes Order Pleosporales Family Corynesporascaceae Genus Corynespora Species Corynespora cassiicola

Xisha Islands

DOI: 10.1021/np5009152 · Journal of Natural Products

Drug-likeness (Lipinski Ro5)

Molecular Weight

262.3 Da

Threshold ≤ 500

ALogP

1.91

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C14H14O5

Molecular Weight:

262.2610 Da

SMILES:

CCOC(=O)Cc1cc(O)cc2oc(C)cc(=O)c12

InChIKey:

                        JDAQOUFMQLRUAS-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C14H14O5/c1-3-18-13(17)6-9-5-10(15)7-12-14(9)11(16)4-8(2)19-12/h4-5,7,15H,3,6H2,1-2H3

Calculated Properties

ALogP:

1.913 lipophilicity

TPSA:

76.74 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.2857 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003907

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 CMNPD: CMNPD25999

Biological Activity Data

No bioactivity data available for this compound.

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