SCS-C001982
7-O-methyl dihydrowogonin
Pathway: Shikimates and Phenylpropanoids
Superclass: Flavonoids
Class: Flavanones
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
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
300.3 Da
Threshold ≤ 500
ALogP
3.12
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
5
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C17H16O5
Molecular Weight:
300.3100 Da
SMILES:
COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1)CC2=O
InChIKey:
VPGMCCIECGDASG-ZDUSSCGKSA-N
InChI:
InChI=1S/C17H16O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-7,9,13,19H,8H2,1-2H3/t13-/m0/s1
Calculated Properties
ALogP:
3.116 lipophilicity
TPSA:
64.99 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
5
Rotatable Bonds:
3
Ring Count:
3
(2 aromatic)
Chiral Centers:
1
Fsp³:
0.2353 fraction sp³ carbon
Database Information
Compound ID:
SCS-C001982
NPClassifier Pathway:
Shikimates and Phenylpropanoids
NPClassifier Superclass:
Flavonoids
NPClassifier Class:
Flavanones
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 | Gibberella zeae | 16.59 ± 1.09 % | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |
| Antioxidant | inhibition_percent | DPPH radical | 2.79 ± 1.01 % | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |
| Antifungal | — | Curvularia australiensis | inhibitory against C. australiensis and Gibberella zeae (at 25 μg/disc) | 10.27806/d.cnki.gglyx.2025.000269 CNKI Dissertation |