SCS-C002149
6-hydroxy-2-methylchromone
Pathway: Polyketides
Superclass: Chromanes
Class: Chromones
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
Microsphaeropsis sp. RA10-14
(endophytic fungus)
Kingdom
Fungi
Phylum
Ascomycota
Class
Dothideomycetes
Order
Pleosporales
Family
Didymellaceae
Genus
Microsphaeropsis
Species
NA
Weizhou Island
· 21.03°N, 109.07°E (approx.)
2015.
Drug-likeness (Lipinski Ro5)
Molecular Weight
176.2 Da
Threshold ≤ 500
ALogP
1.81
Threshold ≤ 5
H-Bond Donors
1
Threshold ≤ 5
H-Bond Acceptors
3
Threshold ≤ 10
Passes Lipinski Rule of Five — drug-like candidate
Chemical Properties
Molecular Formula:
C10H8O3
Molecular Weight:
176.1700 Da
SMILES:
Cc1cc(=O)c2cc(O)ccc2o1
InChIKey:
YYURGBCWIOCCFU-UHFFFAOYSA-N
InChI:
InChI=1S/C10H8O3/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5,11H,1H3
Calculated Properties
ALogP:
1.807 lipophilicity
TPSA:
50.44 Ų polar surface area
H-Bond Donors:
1
H-Bond Acceptors:
3
Rotatable Bonds:
0
Ring Count:
2
(2 aromatic)
Chiral Centers:
0
Fsp³:
0.1000 fraction sp³ carbon
Database Information
Compound ID:
SCS-C002149
NPClassifier Pathway:
Polyketides
NPClassifier Superclass:
Chromanes
NPClassifier Class:
Chromones
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 |
|---|---|---|---|---|
| Other specified activity | inhibition | Platymonas helgolandica | weak inhibition against Platymonas helgolandica | — |