Morelloflavone

Details

• Internal ID: 943370a2-525e-42a4-a8f3-53e4b2af5894
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids
• IUPAC Name: 8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
• SMILES (Canonical): C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O
• SMILES (Isomeric): C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC(=C(C=C6)O)O)O)O)O
• InChI: InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/t27-,29+/m0/s1
• InChI Key: GFWPWSNIXRDQJC-LMSSTIIKSA-N
• Popularity: 45 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₀H₂₀O₁₁
• Molecular Weight: 556.50 g/mol
• Exact Mass: 556.10056145 g/mol
• Topological Polar Surface Area (TPSA): 194.00 Ų
• XlogP: 4.50

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	99.26%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	96.61%	89.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	96.40%	99.15%
CHEMBL1951	P21397	Monoamine oxidase A	95.40%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.28%	99.23%
CHEMBL308	P06493	Cyclin-dependent kinase 1	92.21%	91.73%
CHEMBL3194	P02766	Transthyretin	90.94%	90.71%
CHEMBL2581	P07339	Cathepsin D	90.21%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.15%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.93%	94.00%
CHEMBL242	Q92731	Estrogen receptor beta	87.35%	98.35%
CHEMBL2553	Q15418	Ribosomal protein S6 kinase alpha 1	87.30%	85.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.14%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	86.13%	94.73%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.33%	97.09%
CHEMBL4530	P00488	Coagulation factor XIII	83.54%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.80%	86.33%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	80.50%	95.78%

Plants that contains it

• Allanblackia stuhlmannii
• Drynaria coronans
• Endodesmia calophylloides
• Garcinia atroviridis
• Garcinia cambogioides var. cambogioides
• Garcinia cymosa
• Garcinia densivenia
• Garcinia dulcis
• Garcinia gardneriana
• Garcinia indica
• Garcinia livingstonei
• Garcinia multiflora
• Garcinia scortechinii
• Garcinia spicata
• Garcinia volkensii

Cross-Links

• PubChem: 5464454
• NPASS: NPC171985
• ChEMBL: CHEMBL1215433
• LOTUS: LTS0114132
• wikiData: Q15634193