Linderoflavone B

Details

• Internal ID: d3440217-756d-4b9b-8c3c-d131f6efe4ed
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one
• SMILES (Canonical): COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC
• SMILES (Isomeric): COC1=C(C(=C(C2=C1C(=O)C=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC
• InChI: InChI=1S/C20H18O8/c1-22-16-15-11(21)8-13(10-5-6-12-14(7-10)27-9-26-12)28-17(15)19(24-3)20(25-4)18(16)23-2/h5-8H,9H2,1-4H3
• InChI Key: LKUJKDQDJLCGCT-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₁₈O₈
• Molecular Weight: 386.40 g/mol
• Exact Mass: 386.10016753 g/mol
• Topological Polar Surface Area (TPSA): 81.70 Ų
• XlogP: 2.90

Synonyms

• 3162-42-3
• Lucidin dimethyl ether
• 5,6,7,8-Tetramethoxy-3',4'-(methylenedioxy)flavone
• Lucidin, dimethyl ether
• NSC102343
• LYH4AL5LI7
• NSC-102343
• Flavone, 5,6,7,8-tetramethoxy-3',4'-(methylenedioxy)-
• NSC 102343
• 2-(1,3-Benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
• 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one
• UNII-LYH4AL5LI7
• CHEMBL483213
• DTXSID00185503
• LMPK12111481
• 5,6,7,8-tetramethoxy-3',4'-methylenedioxyflavone
• 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-chromen-4-one
• 2-(2H-1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
• 2-(benzo[d][1,3]dioxol-5-yl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
• 4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxy-
• 2-(1,3-BENZODIOXOL-5-YL)-5,6,7,8-TETRAMETHOXY-4H-1-BENZOPYRAN-4-ONE

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
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	98.73%	96.77%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	97.27%	85.30%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.03%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.07%	91.11%
CHEMBL4225	P49760	Dual specificity protein kinase CLK2	94.86%	80.96%
CHEMBL2581	P07339	Cathepsin D	94.60%	98.95%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	94.27%	94.80%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.10%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.77%	85.14%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.13%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.30%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.69%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	83.98%	94.73%
CHEMBL2717	Q9HCR9	Phosphodiesterase 11A	82.75%	85.00%
CHEMBL2039	P27338	Monoamine oxidase B	81.38%	92.51%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.56%	93.99%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	80.49%	88.84%

Plants that contains it

• Ageratum conyzoides
• Ageratum corymbosum
• Ageratum houstonianum
• Ageratum tomentosum
• Agnorhiza bolanderi
• Anaxagorea crassipetala
• Araujia sericifera
• Arnica nevadensis
• Artemisia gmelinii
• Beyeria sulcata var. brevipes
• Bursaria spinosa
• Chloranthus tianmushanensis
• Chromolaena odorata
• Chromolaena pulchella
• Citrus × aurantium
• Conoclinium dissectum
• Craibia grandiflora
• Dendrosenecio kilimanjari
• Dipterocarpus alatus
• Drosera peltata
• Echinops amplexicaulis
• Eupatorium leucolepis
• Ficus formosana
• Gardenia fosbergii
• Ilex affinis
• Isodon umbrosus
• Kaempferia pulchra
• Lindera lucida
• Litogyne gariepina
• Odixia angusta
• Ozothamnus lycopodioides
• Prosopis glandulosa
• Prunus laurocerasus
• Pteris plumieri
• Quercus cerris
• Salvia officinalis
• Senecio squalidus
• Seriphidium cinum
• Sesbania punicea
• Simira eliezeriana
• Sorbus pallescens
• Stenostomum lucidum
• Taxodium huegelii
• Vitex madiensis

Cross-Links

• PubChem: 97151
• NPASS: NPC116260
• LOTUS: LTS0243635
• wikiData: Q83056535