Myricetin

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	768add82-77ea-4eff-9fdd-2eb3ff03e4fc
Taxonomy	Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
IUPAC Name	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
SMILES (Canonical)	C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
SMILES (Isomeric)	C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI	InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChI Key	IKMDFBPHZNJCSN-UHFFFAOYSA-N
Popularity	5,995 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₅H₁₀O₈
Molecular Weight	318.23 g/mol
Exact Mass	318.03756727 g/mol
Topological Polar Surface Area (TPSA)	148.00 Å²
XlogP	1.20

Synonyms

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529-44-2

Cannabiscetin

Myricetol

Myricitin

3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

3,3',4',5,5',7-Hexahydroxyflavone

3,5,7,3',4',5'-Hexahydroxyflavone

3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

delphidenolon 1575

3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	7943.3 nM 10000 nM 12589.3 nM	Potency Potency Potency	via CMAUP via CMAUP via CMAUP
CHEMBL220	P22303	Acetylcholinesterase	12 nM	IC50	DOI: 10.1007/s00044-012-0353-y
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	3548.1 nM 12589.3 nM 8912.5 nM	Potency Potency Potency	via CMAUP via CMAUP via CMAUP
CHEMBL1900	P15121	Aldose reductase	29000 nM	IC50	PMID: 18165015
CHEMBL5979	P05186	Alkaline phosphatase, tissue-nonspecific isozyme	33200 nM	IC50	via CMAUP
CHEMBL3687	P18054	Arachidonate 12-lipoxygenase	14125.4 nM	Potency	via CMAUP
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	2511.9 nM 2511.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1293236	P46063	ATP-dependent DNA helicase Q1	891.3 nM 1412.5 nM 891.3 nM 891.3 nM	Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via Super-PRED
CHEMBL2487	P05067	Beta amyloid A4 protein	< 3000 nM 15100 nM	IC50 IC50	PMID: 25086914 PMID: 26719209
CHEMBL4822	P56817	Beta-secretase 1	2800 nM	IC50	DOI: 10.1007/s00044-012-0353-y
CHEMBL1293237	P54132	Bloom syndrome protein	14125.4 nM 14125.4 nM 14125.4 nM	Potency Potency Potency	via CMAUP via CMAUP via CMAUP
CHEMBL1978	P11511	Cytochrome P450 19A1	10000 nM	IC50	PMID: 18778944
CHEMBL2231	P04798	Cytochrome P450 1A1	370 nM	Ki	PMID: 21482471
CHEMBL3356	P05177	Cytochrome P450 1A2	1995.26 nM 5011.87 nM	AC50 AC50	via CMAUP via CMAUP
CHEMBL4878	Q16678	Cytochrome P450 1B1	27 nM 27 nM	Ki Ki	PMID: 21482471 via Super-PRED
CHEMBL3622	P33261	Cytochrome P450 2C19	3981.1 nM 19952.6 nM 10000 nM	Potency Potency Potency	via CMAUP via CMAUP via CMAUP
CHEMBL3397	P11712	Cytochrome P450 2C9	10000 nM 10000 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL289	P10635	Cytochrome P450 2D6	19952.6 nM	Potency	via CMAUP
CHEMBL340	P08684	Cytochrome P450 3A4	25118.9 nM 3981.1 nM 12589.3 nM 25118.9 nM 3981.1 nM 12589.3 nM	Potency Potency Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP
CHEMBL2558	P53355	Death-associated protein kinase 1	23000 nM	IC50	PMID: 26322379
CHEMBL284	P27487	Dipeptidyl peptidase IV	37150 nM	IC50	DOI: 10.1039/C0MD00245C
CHEMBL1741217	Q9HC16	DNA dC->dU-editing enzyme APOBEC-3G	2390 nM	IC50	via CMAUP
CHEMBL2392	P06746	DNA polymerase beta	199.5 nM 199.5 nM	Potency Potency	via CMAUP via Super-PRED
CHEMBL1806	P11388	DNA topoisomerase II alpha	390 nM 390 nM	IC50 IC50	DOI: 10.1007/s00044-009-9233-5 via Super-PRED
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	320 nM 320 nM	IC50 IC50	PMID: 25280182 via Super-PRED
CHEMBL4159	Q99714	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	7943.3 nM 5011.9 nM 7943.3 nM 158.5 nM 125.9 nM 199.5 nM 125.9 nM	Potency Potency Potency Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP via Super-PRED
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	2120 nM	IC50	PMID: 24900447
CHEMBL2424	Q04760	Glyoxalase I	560 nM 560 nM 560 nM	IC50 IC50 IC50	PMID: 18258440 PMID: 21669529 via Super-PRED
CHEMBL1293299	Q03164	Histone-lysine N-methyltransferase MLL	31622.8 nM	Potency	via CMAUP
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	1995.3 nM 1995.3 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL4523488	Q9UHH9	Inositol hexakisphosphate kinase 2	700 nM	IC50	via Super-PRED
CHEMBL1981	P06213	Insulin receptor	2600 nM	Ki	PMID: 1479375
CHEMBL1287622	Q9Y468	Lethal(3)malignant brain tumor-like protein 1	446.7 nM 446.7 nM	Potency Potency	via CMAUP via Super-PRED
CHEMBL4660	P28907	Lymphocyte differentiation antigen CD38	24800 nM	IC50	PMID: 21641214
CHEMBL1293226	B2RXH2	Lysine-specific demethylase 4D-like	3000 nM 3000 nM	IC50 IC50	PMID: 21596573 DOI: 10.1039/C1MD00199J
CHEMBL1293224	P10636	Microtubule-associated protein tau	1200 nM < 3000 nM	IC50 IC50	PMID: 23484434 PMID: 25086914
CHEMBL3004	P33527	Multidrug resistance-associated protein 1	20000 nM	IC50	PMID: 19725578
CHEMBL2428	Q15746	Myosin light chain kinase, smooth muscle	1700 nM	Ki	PMID: 16441060
CHEMBL3267	P48736	PI3-kinase p110-gamma subunit	4720 nM	IC50	PMID: 25050878
CHEMBL2478	P04745	Salivary alpha-amylase	30200 nM	IC50	PMID: 18507367
CHEMBL2842	P42345	Serine/threonine-protein kinase mTOR	16481.6 nM 23280.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL2147	P11309	Serine/threonine-protein kinase PIM1	780 nM	IC50	via Super-PRED
CHEMBL1293256	P40225	Thrombopoietin	10000 nM 10000 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1974	P36888	Tyrosine-protein kinase receptor FLT3	1690 nM	IC50	PMID: 23411073
CHEMBL2599	P43405	Tyrosine-protein kinase SYK	6400 nM	IC50	PMID: 22257213
CHEMBL1075138	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	199.5 nM 354.8 nM 281.8 nM 158.5 nM 158.5 nM	Potency Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP via Super-PRED
CHEMBL1293227	O75604	Ubiquitin carboxyl-terminal hydrolase 2	1258.9 nM 5211.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1929	P47989	Xanthine dehydrogenase	2380 nM	IC50	PMID: 9461655

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1929	P47989	Xanthine dehydrogenase	93.78%	96.12%
CHEMBL3194	P02766	Transthyretin	93.45%	90.71%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	92.46%	95.64%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.03%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	89.38%	94.73%
CHEMBL1951	P21397	Monoamine oxidase A	88.48%	91.49%
CHEMBL2581	P07339	Cathepsin D	88.14%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.08%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.23%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.20%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.99%	99.23%
CHEMBL262	P49841	Glycogen synthase kinase-3 beta	83.78%	95.72%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	82.78%	90.71%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	82.73%	94.42%
CHEMBL3038469	P24941	CDK2/Cyclin A	81.82%	91.38%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.41%	99.17%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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PubChem	5281672
NPASS	NPC169749
ChEMBL	CHEMBL164
LOTUS	LTS0139858
wikiData	Q951449

Myricetin

Table of Contents

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties (via admetSAR 2)

Targets

Proven Targets:

Predicted Targets (via Super-PRED):

Plants that contains it

Cross-Links