SCS-C002353

(R)-2,3-dihydro-5-hydroxy-2-methylchromen-4-one

Pathway: Polyketides Superclass: Chromanes Class: Chromones

Chemical Structure

Structure of (R)-2,3-dihydro-5-hydroxy-2-methylchromen-4-one

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

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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

178.2 Da

Threshold ≤ 500

ALogP

1.75

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C10H10O3

Molecular Weight:

178.1900 Da

SMILES:

CC1CC(=O)c2c(O)cccc2O1

InChIKey:

                        WHEIRCBYUYIIMR-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C10H10O3/c1-6-5-8(12)10-7(11)3-2-4-9(10)13-6/h2-4,6,11H,5H2,1H3

Calculated Properties

ALogP:

1.746 lipophilicity

TPSA:

46.53 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

2 (1 aromatic)

Chiral Centers:

Fsp³:

0.3000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002353

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	—

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