Formononetin

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	8d7fb072-3fec-43e7-91b4-223921218013
Taxonomy	Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name	7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
SMILES (Canonical)	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
SMILES (Isomeric)	COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O
InChI	InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
InChI Key	HKQYGTCOTHHOMP-UHFFFAOYSA-N
Popularity	1,921 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₆H₁₂O₄
Molecular Weight	268.26 g/mol
Exact Mass	268.07355886 g/mol
Topological Polar Surface Area (TPSA)	55.80 Å²
XlogP	2.80

Synonyms

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485-72-3

Biochanin B

Formononetol

7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

7-Hydroxy-4'-methoxyisoflavone

7-hydroxy-3-(4-methoxyphenyl)chromen-4-one

Flavosil

Neochanin

Myconate

Mycotech

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+]	35481.3 nM 25118.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	39810.7 nM	Potency	via CMAUP
CHEMBL4096	P04637	Cellular tumor antigen p53	3981.1 nM 15848.9 nM 15848.9 nM 1584.9 nM	Potency Potency Potency Potency	via CMAUP via CMAUP via CMAUP via CMAUP
CHEMBL3622	P33261	Cytochrome P450 2C19	7943.3 nM	Potency	via CMAUP
CHEMBL3397	P11712	Cytochrome P450 2C9	10 nM	Potency	via CMAUP
CHEMBL289	P10635	Cytochrome P450 2D6	10000 nM	Potency	via CMAUP
CHEMBL340	P08684	Cytochrome P450 3A4	15848.9 nM 15848.9 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL4159	Q99714	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	39810.7 nM 39810.7 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1293226	B2RXH2	Lysine-specific demethylase 4D-like	31622.8 nM 28183.8 nM	Potency Potency	via CMAUP via CMAUP
CHEMBL1293224	P10636	Microtubule-associated protein tau	5011.9 nM	Potency	via CMAUP
CHEMBL1293232	Q16637	Survival motor neuron protein	11220.2 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.54%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.30%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.00%	95.56%
CHEMBL242	Q92731	Estrogen receptor beta	93.96%	98.35%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	93.61%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.28%	94.00%
CHEMBL1907	P15144	Aminopeptidase N	91.98%	93.31%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.30%	86.33%
CHEMBL1806	P11388	DNA topoisomerase II alpha	90.32%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	88.01%	99.17%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	86.62%	91.71%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	85.68%	95.53%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	85.39%	86.92%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.68%	99.23%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.09%	93.65%
CHEMBL4208	P20618	Proteasome component C5	80.87%	90.00%
CHEMBL1929	P47989	Xanthine dehydrogenase	80.83%	96.12%

Plants that contains it

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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.

Abies alba

Abies pinsapo subsp. marocana

Achillea pseudopectinata

Allagopappus viscosissimus

Amburana cearensis

Ammopiptanthus mongolicus

Amorpha fruticosa

Ampelocera edentula