DIHYDROMETHYSTICIN

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Synonyms
UNII FZ66MQ73GS
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 RSIWXFIBHXYNFM-NSHDSACASA-N
Smiles COC1=CC(=O)O[C@@H](CCc2ccc3OCOc3c2)C1
InChI
InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16O5
Molecular Weight 276.28
AlogP 2.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 53.99
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of shoot length at 1 ppm relative to untreated control Echinochloa crus-galli 48.6 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of germination at 10 ppm relative to untreated control Echinochloa crus-galli 56.7 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of germination at 1 ppm relative to untreated control Echinochloa crus-galli 50.0 %
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of root length at 10 ppm relative to untreated control Lactuca sativa 74.8 %
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of root length at 1 ppm relative to untreated control Lactuca sativa None
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of shoot length at 10 ppm relative to untreated control Lactuca sativa 76.5 %
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of shoot length at 1 ppm relative to untreated control Lactuca sativa None
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of germination at 10 ppm relative to untreated control Lactuca sativa 89.9 %
Herbicidal activity against Lactuca sativa cv. Great Lakes 366 (lettuce) assessed as inhibition of germination at 1 ppm relative to untreated control Lactuca sativa None
Antifungal activity against Hypocrea rufa assessed as growth inhibition at 10 ppm after 4 days relative to untreated control Hypocrea rufa 0.0 %
Antifungal activity against Hypocrea rufa assessed as growth inhibition at 50 ppm after 4 days relative to untreated control Hypocrea rufa 0.0 %
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 50 ppm after 4 days relative to untreated control Fusarium oxysporum 31.9 %
Antifungal activity against Fusarium oxysporum assessed as growth inhibition at 10 ppm after 4 days relative to untreated control Fusarium oxysporum 18.8 %
Antifungal activity against Fusarium solani assessed as growth inhibition at 50 ppm after 4 days relative to untreated control Fusarium solani 48.4 %
Antifungal activity against Fusarium solani assessed as growth inhibition at 10 ppm after 4 days relative to untreated control Fusarium solani 40.3 %
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 50 ppm after 4 days relative to untreated control Colletotrichum gloeosporioides 27.8 %
Antifungal activity against Colletotrichum gloeosporioides assessed as growth inhibition at 10 ppm after 4 days relative to untreated control Colletotrichum gloeosporioides 0.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of root length at 10 ppm relative to untreated control Echinochloa crus-galli 48.2 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of root length at 1 ppm relative to untreated control Echinochloa crus-galli 32.1 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as inhibition of shoot length at 10 ppm relative to untreated control Echinochloa crus-galli 55.6 %

Cross References

Resources Reference
ChEMBL CHEMBL576066
FDA SRS FZ66MQ73GS
PubChem 88308
SureChEMBL SCHEMBL14524443
ZINC ZINC01608669
CONTENTS