Morelloflavone

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	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

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Molecular Formula	C₃₀H₂₀O₁₁
Molecular Weight	556.50 g/mol
Exact Mass	556.10056145 g/mol
Topological Polar Surface Area (TPSA)	194.00 Å²
XlogP	4.50

Synonyms

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Fukugetin

16851-21-1

Morelloflavone, (-)-

XH2KXX2C5D

1414943-37-5

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

[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2S,3R)-

8-((2S,3R)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

AX3GA2TK7M

(2S,3R)-2'-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)(3,8'-bi-4H-1-benzopyran)-4,4'-dione

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
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

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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.

Allanblackia stuhlmannii

Drynaria coronans

Endodesmia calophylloides

Garcinia livingstonei

Garcinia morella

Garcinia multiflora