SCS-C006148

N-(2-hydroxyphenyl) acetamide

Pathway: Alkaloids Superclass: Anthranilic acid alkaloids

Chemical Structure

Structure of N-(2-hydroxyphenyl) acetamide

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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.

Download: SDF SMILES

Source Information

Aspergillus sp. SYPUF29 (coral-derived fungus)

Kingdom Fungi Phylum Ascomycota Class Eurotiomycetes Order Eurotiales Family Aspergillaceae Genus Aspergillus Species Aspergillus sp. SYPUF29

South China Sea

DOI: 10.3390/jof10090636 · Journal of Fungi

Drug-likeness (Lipinski Ro5)

Molecular Weight

151.2 Da

Threshold ≤ 500

ALogP

1.35

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C8H9NO2

Molecular Weight:

151.1650 Da

SMILES:

CC(=O)Nc1ccccc1O

InChIKey:

                        ADVGKWPZRIDURE-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)

Calculated Properties

ALogP:

1.351 lipophilicity

TPSA:

49.33 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

1 (1 aromatic)

Chiral Centers:

Fsp³:

0.1250 fraction sp³ carbon

Database Information

Compound ID:

SCS-C006148

NPClassifier Pathway:

Alkaloids

NPClassifier Superclass:

Anthranilic acid alkaloids

NPClassifier Class:

N/A

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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