Sideritoflavone

Details

• Internal ID: f21d7350-61b2-419f-b409-e90f916acd64
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
• IUPAC Name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
• SMILES (Canonical): COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC
• SMILES (Isomeric): COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OC)OC
• InChI: InChI=1S/C18H16O8/c1-23-16-14(22)13-11(21)7-12(8-4-5-9(19)10(20)6-8)26-15(13)17(24-2)18(16)25-3/h4-7,19-20,22H,1-3H3
• InChI Key: UWNUJPINKMRKKR-UHFFFAOYSA-N
• Popularity: 18 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₁₆O₈
• Molecular Weight: 360.30 g/mol
• Exact Mass: 360.08451746 g/mol
• Topological Polar Surface Area (TPSA): 115.00 Ų
• XlogP: 2.60

Synonyms

• SIDERITIFLAVONE
• 70360-12-2
• 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxychromen-4-one
• NSC692202
• 5,3',4'-Trihydroxy-6,7,8-trimethoxyflavone
• 2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
• 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-
• CHEMBL312790
• DTXSID90220634
• CHEBI:175612
• BDBM50412300
• LMPK12111471
• AKOS032962676
• NSC-692202
• XS161556
• LS-193893
• 3',4',5-Trihydroxy-6,7,8-trimethoxyflavone
• A902981

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	99.30%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.35%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.07%	94.00%
CHEMBL2581	P07339	Cathepsin D	94.54%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.33%	89.00%
CHEMBL1163101	O75460	Serine/threonine-protein kinase/endoribonuclease IRE1	90.89%	98.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.11%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.55%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.31%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	87.54%	94.73%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.14%	85.14%
CHEMBL3194	P02766	Transthyretin	85.93%	90.71%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	84.56%	85.30%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.80%	93.99%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.70%	99.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.19%	99.23%

Plants that contains it

• Baccharis patens
• Baccharis quitensis
• Condea verticillata
• Isodon rubescens
• Isodon wikstroemioides
• Mentha × piperita
• Mentha arvensis
• Mentha canadensis
• Mentha spicata
• Sideritis × angustifolia
• Sideritis leucantha
• Sideritis ochroleuca
• Sideritis tragoriganum
• Stachys aegyptiaca
• Thymus herba-barona
• Wilkesia hobdyi

Cross-Links

• PubChem: 155493
• NPASS: NPC201136
• ChEMBL: CHEMBL312790
• LOTUS: LTS0075305
• wikiData: Q83097957