SCS-C006680
palmitic acid
Pathway: Fatty acids
Superclass: Fatty Acids and Conjugates
Class: Branched fatty acids | Unsaturated fatty acids
Chemical Structure
Loading 3D structure...
3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.
Source Information
Aspergillus carneus
(NA)
Kingdom
Fungi
Phylum
Ascomycota
Class
Eurotiomycetes
Order
Eurotiales
Family
Aspergillaceae
Genus
Aspergillus
Species
Aspergillus carneus
South China Sea
DOI:
10.3390/metabo15110721
· Metabolites
Drug-likeness (Lipinski Ro5)
Molecular Weight
256.4 Da
Threshold ≤ 500
ALogP
5.55
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
1
Threshold ≤ 10
1 violation (ALogP) — borderline drug-like
Chemical Properties
Molecular Formula:
C16H32O2
Molecular Weight:
256.4300 Da
SMILES:
CCCCCCCCCCCCCCCC(=O)O
InChIKey:
IPCSVZSSVZVIGE-UHFFFAOYSA-N
InChI:
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
Calculated Properties
ALogP:
5.552 lipophilicity
TPSA:
37.30 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
1
Rotatable Bonds:
14
Ring Count:
0
(0 aromatic)
Chiral Centers:
0
Fsp³:
0.9375 fraction sp³ carbon
Database Information
Compound ID:
SCS-C006680
NPClassifier Pathway:
Fatty acids
NPClassifier Superclass:
Fatty Acids and Conjugates
NPClassifier Class:
Branched fatty acids
Unsaturated fatty acids
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 |
|---|---|---|---|---|
| Antifouling | — | fouling bacteria | Previous studies have reported the antifouling properties of fatty acids. For instance, Gao et al. identified palmitic acid, myristic acid, and octadecanoic acid as the active principles in antifouling bacteria. | 10.3390/metabo15110721 Metabolites |
| Antifouling | anti-settlement | invertebrate larvae | — Structured numeric value is not available in this record; see the primary reference. | 10.3390/metabo15110721 Metabolites |