3,3',5,7-Tetrahydroxyflavone

Details

Top
Internal ID 56f834e1-79ad-4245-9cf2-10c27c4842b2
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
IUPAC Name 3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
SMILES (Canonical) C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
SMILES (Isomeric) C1=CC(=CC(=C1)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI InChI=1S/C15H10O6/c16-8-3-1-2-7(4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
InChI Key ABDQTIKKAYGHNV-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H10O6
Molecular Weight 286.24 g/mol
Exact Mass 286.04773803 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 1.90

Synonyms

Top
210560-14-8
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3-hydroxyphenyl)-
3,5,7-trihydroxy-2-(3-hydroxyphenyl)chromen-4-one
CHEMBL4639902
SCHEMBL14764207

2D Structure

Top
2D Structure of 3,3',5,7-Tetrahydroxyflavone

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 98.49% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.28% 98.95%
CHEMBL1929 P47989 Xanthine dehydrogenase 95.40% 96.12%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.22% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 93.19% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.96% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.61% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 89.44% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.41% 99.23%
CHEMBL3194 P02766 Transthyretin 88.42% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.51% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.41% 99.15%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.26% 93.99%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.29% 83.10%

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.
Costus spicatus

Cross-Links

Top
PubChem 9860659
LOTUS LTS0141309
wikiData Q104908542