HELIOMYCIN

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Search structure


Synonyms	Heliomycin
UNII	7N3A092A5X
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 ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ABLACSIRCKEUOB-UHFFFAOYSA-N
Smiles	Cc1cc(O)c2C(=O)c3c(O)cc(O)c4C(=O)C(C)(C)c5cc(O)c1c2c5c34
InChI	InChI=1S/C22H16O6/c1-7-4-9(23)15-18-13(7)10(24)5-8-14(18)19-16(20(15)27)11(25)6-12(26)17(19)21(28)22(8,2)3/h4-6,23-26H,1-3H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H16O6
Molecular Weight	376.36
AlogP	3.84
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	0.0
Polar Surface Area	115.06
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	28.0

Assay Description	Organism	Bioactivity	Reference
Antifungal activity against Magnaporthe grisea in fourth-leaf stage of rice plant assessed as curative efficacy at 100 ug/ml after 11 days relative to control	Magnaporthe grisea	25.0 %
Antifungal activity against Magnaporthe grisea in fourth-leaf stage of rice plant assessed as preventive efficacy at 100 ug/ml after 11 days relative to control	Magnaporthe grisea	66.8 %
Antifungal activity against Magnaporthe grisea assessed as inhibition of spore germination after 12 hr by light microscopic analysis	Magnaporthe grisea	5.55 ug.mL-1
Antifungal activity against Fusarium oxysporum f. sp. melongenae assessed as inhibition of mycelial growth	Fusarium oxysporum f. sp. melongenae	100.0 ug.mL-1
Antifungal activity against Fusarium oxysporum f. sp. cucumerinum assessed as inhibition of mycelial growth	Fusarium oxysporum f. sp. cucumerinum	100.0 ug.mL-1
Antifungal activity against Rhizoctonia solani assessed as inhibition of mycelial growth	Rhizoctonia solani	100.0 ug.mL-1
Antifungal activity against Dothiorella gregaria assessed as inhibition of mycelial growth	Dothiorella gregaria	100.0 ug.mL-1
Antifungal activity against Fusarium graminearum assessed as inhibition of mycelial growth	Fusarium graminearum	100.0 ug.mL-1
Antifungal activity against Valsa mali assessed as inhibition of mycelial growth	Valsa mali	1.1 ug.mL-1
Antifungal activity against Magnaporthe grisea assessed as inhibition of mycelial growth	Magnaporthe grisea	3.8 ug.mL-1

Cross References

Resources	Reference
ChEMBL	CHEMBL1320139
FDA SRS	7N3A092A5X
PubChem	5282060
SureChEMBL	SCHEMBL2134180
ZINC	ZINC04017533

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).