SCS-C001977
2,4-dimethoxy-1,10-dihydroxy-p-terphenyl
Pathway: Shikimates and Phenylpropanoids
Superclass: Terphenyls
Class: p-Terphenyls
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 candidus SCSIO 41234
(Aspergillus)
Original source name: Aspergillus candidus SCSIO41234
Kingdom
Fungi
Phylum
Ascomycota
Class
Eurotiomycetes
Order
Eurotiales
Family
Aspergillaceae
Genus
Aspergillus
Species
Aspergillus candidus
Guangxi coast
DOI:
10.27806/d.cnki.gglyx.2025.000269
· CNKI Dissertation
Drug-likeness (Lipinski Ro5)
Molecular Weight
322.4 Da
Threshold ≤ 500
ALogP
4.45
Threshold ≤ 5
H-Bond Donors
2
Threshold ≤ 5
H-Bond Acceptors
4
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C20H18O4
Molecular Weight:
322.3600 Da
SMILES:
COc1cc(-c2ccc(O)cc2)c(O)c(OC)c1-c1ccccc1
InChIKey:
RZWQEFIHULKELU-UHFFFAOYSA-N
InChI:
InChI=1S/C20H18O4/c1-23-17-12-16(13-8-10-15(21)11-9-13)19(22)20(24-2)18(17)14-6-4-3-5-7-14/h3-12,21-22H,1-2H3
Calculated Properties
ALogP:
4.449 lipophilicity
TPSA:
58.92 Ų polar surface area
H-Bond Donors:
2
H-Bond Acceptors:
4
Rotatable Bonds:
4
Ring Count:
3
(3 aromatic)
Chiral Centers:
0
Fsp³:
0.1000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C001977
NPClassifier Pathway:
Shikimates and Phenylpropanoids
NPClassifier Superclass:
Terphenyls
NPClassifier Class:
p-Terphenyls
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 |
|---|---|---|---|---|
| Antioxidant | inhibition_percent | DPPH radical | 34.03 ± 0.51 % | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |
| Enzyme inhibition | inhibition_percent | acetylcholinesterase (AChE) | 51.22 ± 0.66 % | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |