SCS-C001968
cinnamic acid
Pathway: Shikimates and Phenylpropanoids
Superclass: Phenylpropanoids (C6-C3)
Class: Cinnamic acids and derivatives
Chemical Structure
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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.
Source Information
Hortaea werneckii SCSIO 41233
(Hortaea)
Original source name: Hortaea werneckii SCSIO41233
Kingdom
Fungi
Phylum
Ascomycota
Class
Dothideomycetes
Order
Mycosphaerellales
Family
Teratosphaeriaceae
Genus
Hortaea
Species
Hortaea werneckii
Guangxi coast
DOI:
10.27806/d.cnki.gglyx.2025.000269
· CNKI Dissertation
Janibacter sp.
(NA)
Kingdom
Bacillati
Phylum
Actinomycetota
Class
Actinomycetes
Order
Micrococcales
Family
Intrasporangiaceae
Genus
Janibacter
Species
Janibacter sp.
Zhongsha Islands
· 3448 m
· 13°08′40″ N, 114°38′21″ E
DOI:
10.3390/molecules28052133
· Molecules
Drug-likeness (Lipinski Ro5)
Molecular Weight
148.2 Da
Threshold ≤ 500
ALogP
1.78
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
1
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C9H8O2
Molecular Weight:
148.1600 Da
SMILES:
O=C(O)/C=C/c1ccccc1
InChIKey:
WBYWAXJHAXSJNI-VOTSOKGWSA-N
InChI:
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Calculated Properties
ALogP:
1.784 lipophilicity
TPSA:
37.30 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
1
Rotatable Bonds:
2
Ring Count:
1
(1 aromatic)
Chiral Centers:
0
Fsp³:
0.0000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C001968
NPClassifier Pathway:
Shikimates and Phenylpropanoids
NPClassifier Superclass:
Phenylpropanoids (C6-C3)
NPClassifier Class:
Cinnamic acids and derivatives
Glycoside:
No
NPClassifier Status:
Classified
External Links:
General chemistry
Natural product databases
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 |
|---|---|---|---|---|
| Antifungal | — | Curvularia australiensis (pineapple black heart disease) | inhibitory against Curvularia australiensis (at 50 μg/disc) | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |
| Antibacterial | inhibition | Staphylococcus aureus | All isolated compounds were tested for antibacterial activity against three Gram-positive and one Gram-negative bacteria ... resulting in that none of which exhibited obvious antibacterial activity. | 10.3390/molecules28052133 Molecules |
| Enzyme inhibition | inhibition | α-glucosidase | all compounds were evaluated for α-glucosidase inhibitory activity, and all of which did not show inhibitory effects at the concentration of 166.7 μg/mL | 10.3390/molecules28052133 Molecules |