SCS-C002351

2-N-propyl-5,7-dihydroxychromone

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

Structure of 2-N-propyl-5,7-dihydroxychromone

Loading 3D structure...

3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Nodulisporium sp. (BH 2-5)

Kingdom Fungi Phylum Ascomycota Class Sordariomycetes Order Xylariales Family Xylariaceae Genus Nodulisporium Species NA

Beibu Gulf

Chinese Journal of Marine Drugs, 2025, 44(3), 45-52.

Drug-likeness (Lipinski Ro5)

Molecular Weight

220.2 Da

Threshold ≤ 500

ALogP

2.16

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C12H12O4

Molecular Weight:

220.2400 Da

SMILES:

CCCc1cc(=O)c2c(O)cc(O)cc2o1

InChIKey:

                        VNMQMINAFBHHBP-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C12H12O4/c1-2-3-8-6-10(15)12-9(14)4-7(13)5-11(12)16-8/h4-6,13-14H,2-3H2,1H3

Calculated Properties

ALogP:

2.157 lipophilicity

TPSA:

70.67 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (2 aromatic)

Chiral Centers:

Fsp³:

0.2500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002351

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

Activity values are displayed only when a quantitative or clearly reported result is available. Tested organisms, cell lines and molecular targets are shown under Target / model.

Activity	Assay	Target / model	Result	Reference
Antiviral	inhibition	Neuraminidase	inhibition	—

Back to Compounds