RESVERATROL

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Synonyms
UNII Q369O8926L
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 LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Smiles Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12O3
Molecular Weight 228.24
AlogP 3.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 60.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Diplodia seriata BoF98-1 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia seriata BoF99-1 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia seriata LAT28 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Lasiodiplodia theobromae CBS116460 assessed as growth inhibition measured after 1 to 10 days Lasiodiplodia theobromae 24.0 %
Antifungal activity against Diplodia seriata PLU03 assessed as growth inhibition measured after 1 to 10 days Diplodia seriata 24.0 %
Antifungal activity against Diplodia mutila BRA08 assessed as growth inhibition measured after 1 to 10 days Diplodia mutila 24.0 %
Antifungal activity against Neofusicoccum luteum CBS110299 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum luteum 14.0 %
Antifungal activity against Neofusicoccum parvum PER20 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum parvum 14.0 %
Antifungal activity against Neofusicoccum parvum Bp0014 assessed as growth inhibition measured after 1 to 10 days Neofusicoccum parvum 14.0 %
Antifungal activity against Botryosphaeria dothidea OGE14 assessed as growth inhibition measured after 1 to 10 days relative to control Botryosphaeria dothidea 14.0 %
Antifungal activity against Eutypa lata BX1-10 assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Eutypa lata 1.7
Antifungal activity against Neofusicoccum parvum assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Neofusicoccum parvum 1.1
Antifungal activity against Diplodia seriata assessed as growth inhibition at 500 uM measured after 1 to 10 days relative to control Diplodia seriata 1.6
Antifungal activity against Togninia minima SO21 assessed as susceptibility at 500 uM measured after 1 to 10 days Togninia minima None
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition after 72 hr by NCCLS M27-A broth microdilution method Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana assessed as growth inhibition after 48 hr by NCCLS M27-A broth microdilution method Botryotinia fuckeliana None
Antifungal activity against Phomopsis obscurans assessed as growth inhibition at 30 uM after 144 hr by NCCLS M27-A broth microdilution method Phomopsis obscurans None
Antifungal activity against Diaporthe ampelina assessed as growth inhibition after 120 hr by NCCLS M27-A broth microdilution method Diaporthe ampelina None
Octanol-water partition coefficient, log P of the compound by HPLC analysis None 1.35
Antioxidant activity assessed as inhibition rate constant in AAPH-induced human LDL peroxidation None 4.4 10'5L/mol/s
Antioxidant activity assessed as time required to inhibit Cu2+-induced human LDL peroxidation None 58.0 min
Antioxidant activity assessed as time required to inhibit AAPH-induced human LDL peroxidation None 23.8 min
Antioxidant activity assessed as inhibition rate constant for reaction with peroxyl radicals None 14.0 10'4L/mol/s
Antioxidant activity in CTAB micelles assessed as time required to inhibit AAPH-induced linoleic acid peroxidation None 2.7 10'3s
Antioxidant activity in CTAB micelles assessed as inhibition rate constant for AAPH-induced linoleic acid peroxidation None 0.7 10'4L/mol/s
Antioxidant activity in SDS micelles assessed as time required to inhibit AAPH-induced linoleic acid peroxidation None 3.1 10'3s
Antioxidant activity in SDS micelles assessed as inhibition rate constant for AAPH-induced linoleic acid peroxidation None 1.3 10'4L/mol/s
Antioxidant activity in Rattus norvegicus Wistar (rat) liver microsomes assessed as inhibition of Fe2+/ascorbate-induced lipid peroxidation incubated for 10 min prior to Fe2+/ascorbate induction measured after 60 min by TBARS assay Rattus norvegicus 135000.0 nM
Antioxidant activity assessed as time required to induce lipid oxidation by Rancimat method None 12.3 hr
Antifeedant activity against third-instar larval stage of Brontispa longissima in cabbage leaves assessed as decrease in leaf surface consumption treated for 30 secs prior to larval infestation measured after 48 hr by leaf-dipping method Brontispa longissima 0.816 mg/ml

Cross References

Resources Reference
ChEMBL CHEMBL165
FDA SRS Q369O8926L
PDB STL
PubChem 445154
SureChEMBL SCHEMBL19425
ZINC ZINC00006787
CONTENTS