HARZIANOLIDE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key KELRJXQJITUJOU-VNKDHWASSA-N
Smiles C\C=C\C=C\CC1=C(CC(C)O)C(=O)OC1
InChI
InChI=1S/C13H18O3/c1-3-4-5-6-7-11-9-16-13(15)12(11)8-10(2)14/h3-6,10,14H,7-9H2,1-2H3/b4-3+,6-5+

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18O3
Molecular Weight 222.28
AlogP 2.28
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0
Assay Description Organism Bioactivity Reference
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 200 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 7.6 cm
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 100 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 8.5 cm
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 10 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 8.5 cm
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 1 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 8.5 cm
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 0.1 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 8.5 cm
Antimicrobial activity against Pythium ultimum assessed as colony diameter at 0.01 ug/plug after 3 days ( Rvb = 8.50 cm) Pythium ultimum 8.5 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 200 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 2.35 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 100 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 2.7 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 10 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 3.05 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 1 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 2.5 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 0.1 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 2.83 cm
Antimicrobial activity against Rhizoctonia solani assessed as colony diameter at 0.01 ug/plug after 3 days ( Rvb = 2.95 +/- 0.11 cm) Rhizoctonia solani 2.8 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 200 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 0.7 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 100 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 1.25 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 10 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 1.1 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 1 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 1.43 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 0.1 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 1.25 cm
Antimicrobial activity against Gaeumannomyces graminis var. tritici assessed as colony diameter at 0.01 ug/plug after 3 days ( Rvb = 1.40+/- 0.8 cm) Gaeumannomyces graminis var. tritici 1.05 cm
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition at 200 ug/plug Botryotinia fuckeliana 25.0 %
Antifungal activity against Phytophthora cinnamomi assessed as growth inhibition at 200 ug/plug Phytophthora cinnamomi 25.0 %
Antifungal activity against Leptosphaeria maculans isolate UWA P11 assessed as growth inhibition at 200 ug/plug Leptosphaeria maculans 25.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2251566
PubChem 15719532
CONTENTS