Delicaflavone

Details

Top
Internal ID b08ff311-c6ea-40b1-ae22-43fc3dce8671
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavones
IUPAC Name 3-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
SMILES (Canonical) C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
SMILES (Isomeric) C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
InChI InChI=1S/C30H18O10/c31-16-5-1-15(2-6-16)29-30(28(37)27-21(35)10-18(33)12-25(27)40-29)38-19-7-3-14(4-8-19)23-13-22(36)26-20(34)9-17(32)11-24(26)39-23/h1-13,31-35H
InChI Key WJULKDPQRHDJNK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C30H18O10
Molecular Weight 538.50 g/mol
Exact Mass 538.08999677 g/mol
Topological Polar Surface Area (TPSA) 163.00 Ų
XlogP 5.50

Synonyms

Top
SCHEMBL19715996
AKOS040762707
3-[4-(5,7-dihydroxy-4-oxo-4h-1-benzopyran-2-yl) phenoxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one
343569-15-3

2D Structure

Top
2D Structure of Delicaflavone

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 98.86% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 97.92% 99.15%
CHEMBL3194 P02766 Transthyretin 96.64% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 96.12% 94.00%
CHEMBL242 Q92731 Estrogen receptor beta 95.42% 98.35%
CHEMBL1806 P11388 DNA topoisomerase II alpha 93.96% 89.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.19% 96.12%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 91.86% 95.78%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.31% 95.56%
CHEMBL2581 P07339 Cathepsin D 89.32% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.47% 86.33%
CHEMBL4208 P20618 Proteasome component C5 86.12% 90.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.67% 91.49%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.71% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 84.71% 94.73%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.51% 90.71%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 84.15% 95.64%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 84.06% 93.65%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.98% 94.45%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 82.68% 86.92%
CHEMBL5284 Q96RR4 CaM-kinase kinase beta 82.34% 89.23%
CHEMBL4530 P00488 Coagulation factor XIII 81.20% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.41% 99.23%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.37% 93.99%

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.
Selaginella delicatula

Cross-Links

Top
PubChem 102501232
LOTUS LTS0028672
wikiData Q105307086