Dihydroformononetin

Details

Top
Internal ID c7f1c8c7-7bb3-4d95-8270-78595c79b52c
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O
SMILES (Isomeric) COC1=CC=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O
InChI InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
InChI Key INYISIYHXQDCPK-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H14O4
Molecular Weight 270.28 g/mol
Exact Mass 270.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.70

Synonyms

Top
7-Hydroxy-4'-methoxyisoflavanone
4626-22-6
CHEMBL3343011
7-hydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
SCHEMBL2069507
CHEBI:174556
INYISIYHXQDCPK-UHFFFAOYSA-N
DTXSID401175698
BDBM50102651
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of Dihydroformononetin

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
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.85% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.64% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.17% 97.09%
CHEMBL2581 P07339 Cathepsin D 94.53% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.77% 96.09%
CHEMBL4208 P20618 Proteasome component C5 91.96% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.50% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.46% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.93% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.47% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.14% 99.17%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 86.04% 96.09%
CHEMBL2535 P11166 Glucose transporter 85.74% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.71% 95.89%
CHEMBL4040 P28482 MAP kinase ERK2 85.53% 83.82%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 84.30% 95.55%
CHEMBL1907 P15144 Aminopeptidase N 84.28% 93.31%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.86% 89.00%
CHEMBL340 P08684 Cytochrome P450 3A4 83.32% 91.19%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.76% 95.89%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 81.17% 82.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.15% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 80.69% 91.49%

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.
Eysenhardtia polystachya
Styphnolobium japonicum

Cross-Links

Top
PubChem 14730796
LOTUS LTS0148485
wikiData Q104398913