Chrysin

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

Top

Internal ID	917579ab-a989-4ad9-9614-01814d58575f
Taxonomy	Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name	5,7-dihydroxy-2-phenylchromen-4-one
SMILES (Canonical)	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
SMILES (Isomeric)	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
InChI Key	RTIXKCRFFJGDFG-UHFFFAOYSA-N
Popularity	2,793 references in papers

Physical and Chemical Properties

Top

Molecular Formula	C₁₅H₁₀O₄
Molecular Weight	254.24 g/mol
Exact Mass	254.05790880 g/mol
Topological Polar Surface Area (TPSA)	66.80 Å²
XlogP	2.10

Synonyms

Top

480-40-0

5,7-Dihydroxyflavone

5,7-Dihydroxy-2-phenyl-4H-chromen-4-one

Chrysine

5,7-dihydroxy-2-phenylchromen-4-one

Crysin

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-phenyl-

NSC-407436

FLAVONE, 5,7-DIHYDROXY-

NSC 407436

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

2D Structure

Top

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top

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

Targets

Top

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	3981.1 nM 17782.8 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	1584.9 nM 15848.9 nM 8912.5 nM 17782.8 nM	Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP
CHEMBL1900	P15121	Aldose reductase	8500 nM 7780 nM	IC50 IC50	PMID: 18165015 PMID: 21256748
CHEMBL5393	Q9UNQ0	ATP-binding cassette sub-family G member 2	2600 nM 1500 nM	IC50 IC50	PMID: 21354800 PMID: 21354800
CHEMBL261	P00915	Carbonic anhydrase I	5490 nM 5420 nM	Ki Ki	PMID: 22487176 PMID: 22487176
CHEMBL205	P00918	Carbonic anhydrase II	4380 nM 4310 nM	Ki Ki	PMID: 22487176 PMID: 22487176
CHEMBL3729	P22748	Carbonic anhydrase IV	537.75 nM 537.75 nM	Ki Ki	via Super-PRED PMID: 26498393
CHEMBL3594	Q16790	Carbonic anhydrase IX	2650 nM 2710 nM	Ki Ki	PMID: 22487176 PMID: 22487176
CHEMBL2326	P43166	Carbonic anhydrase VII	171.41 nM 171.41 nM	Ki Ki	PMID: 26498393 via Super-PRED
CHEMBL3242	O43570	Carbonic anhydrase XII	8960 nM 34.7 nM 9070 nM	Ki Ki Ki	PMID: 22487176 via Super-PRED PMID: 22487176
CHEMBL5586	P16152	Carbonyl reductase [NADPH] 1	670 nM 110 nM	IC50 Ki	PMID: 19097799 via Super-PRED
CHEMBL4096	P04637	Cellular tumor antigen p53	25118.9 nM 25118.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL2508	Q00534	Cyclin-dependent kinase 6	6000 nM 6000 nM	IC50 IC50	DOI: 10.1007/s00044-009-9233-5 PMID: 15689157
CHEMBL230	P35354	Cyclooxygenase-2	25500 nM	IC50	PMID: 24332492
CHEMBL1978	P11511	Cytochrome P450 19A1	1 nM 1 nM 1500 nM 500 nM 800 nM	IC50 IC50 IC50 IC50 IC50	PMID: 20413308 via Super-PRED PMID: 22444875 PMID: 26301554 DOI: 10.1039/C3MD00166K
CHEMBL2231	P04798	Cytochrome P450 1A1	1290 nM 153 nM	IC50 IC50	PMID: 23600958 PMID: 20696580
CHEMBL3356	P05177	Cytochrome P450 1A2	84 nM 54 nM	IC50 IC50	PMID: 20696580 PMID: 20832301
CHEMBL4878	Q16678	Cytochrome P450 1B1	24 nM 16 nM	IC50 Ki	PMID: 20696580 via Super-PRED
CHEMBL3622	P33261	Cytochrome P450 2C19	794.3 nM	Potency	via CMAUP
CHEMBL3397	P11712	Cytochrome P450 2C9	5225 nM	IC50	PMID: 20832301
CHEMBL289	P10635	Cytochrome P450 2D6	12589.25 nM	AC50	via CMAUP
CHEMBL340	P08684	Cytochrome P450 3A4	2511.9 nM 3162.3 nM 2511.9 nM 3162.3 nM	Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP
CHEMBL4159	Q99714	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	10000 nM	Potency	via CMAUP
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	6309.6 nM 6309.6 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1293226	B2RXH2	Lysine-specific demethylase 4D-like	31622.8 nM	Potency	via CMAUP
CHEMBL4040	P28482	MAP kinase ERK2	31622.8 nM	Potency	via CMAUP
CHEMBL1293224	P10636	Microtubule-associated protein tau	15848.9 nM 35481.3 nM 35481.3 nM 5623.4 nM 11220.2 nM	Potency Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP via CMAUP
CHEMBL1293232	Q16637	Survival motor neuron protein	3981.1 nM 14125.4 nM 28183.8 nM	Potency Potency Potency	via CMAUP via CMAUP via CMAUP
CHEMBL1929	P47989	Xanthine dehydrogenase	840 nM	IC50	PMID: 9461655

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.63%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.96%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.39%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	92.60%	89.00%
CHEMBL3194	P02766	Transthyretin	90.23%	90.71%
CHEMBL1951	P21397	Monoamine oxidase A	89.67%	91.49%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	89.05%	99.15%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.39%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.48%	93.99%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.45%	99.23%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.30%	94.62%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.34%	94.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	83.40%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	81.50%	94.73%
CHEMBL5284	Q96RR4	CaM-kinase kinase beta	80.45%	89.23%

Plants that contains it

Top

Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

PubChem	5281607
NPASS	NPC78540
ChEMBL	CHEMBL117
LOTUS	LTS0200644
wikiData	Q973741

Chrysin

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