SCS-C003971

corynechromone L

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

290.3 Da

Threshold ≤ 500

ALogP

2.55

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C16H18O5

Molecular Weight:

290.3150 Da

SMILES:

Cc1cc(=O)c2c(CC(=O)OCC(C)C)cc(O)cc2o1

InChIKey:

                        KBBZDBRZSVONMK-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C16H18O5/c1-9(2)8-20-15(19)6-11-5-12(17)7-14-16(11)13(18)4-10(3)21-14/h4-5,7,9,17H,6,8H2,1-3H3

Calculated Properties

ALogP:

2.549 lipophilicity

TPSA:

76.74 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.3750 fraction sp³ carbon

Database Information

Compound ID:

SCS-C003971

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: CMNPD26000

Biological Activity Data

No bioactivity data available for this compound.

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