SCS-C002347

2-(2-hydroxyethyl)phenol

Pathway: Shikimates and Phenylpropanoids Superclass: Phenylethanoids (C6-C2) Class: Phenylethanoids

Chemical Structure

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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

138.2 Da

Threshold ≤ 500

ALogP

0.93

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C8H10O2

Molecular Weight:

138.1600 Da

SMILES:

OCCc1ccccc1O

InChIKey:

                        ABFCOJLLBHXNOU-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4,9-10H,5-6H2

Calculated Properties

ALogP:

0.927 lipophilicity

TPSA:

40.46 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.2500 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002347

NPClassifier Pathway:

Shikimates and Phenylpropanoids

NPClassifier Superclass:

Phenylethanoids (C6-C2)

NPClassifier Class:

Phenylethanoids

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; Neuraminidase	—
Enzyme inhibition	inhibition	Acetylcholinesterase; Pancreatic lipase	inhibition; Pancreatic lipase	—
Enzyme inhibition	inhibition	Acetylcholinesterase; Neuraminidase; Pancreatic lipase	inhibition	—

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