Sylpin

Details

• Internal ID: 4ffea763-a158-4cf4-b1bb-e3a207303f75
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
• IUPAC Name: 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methylchromen-4-one
• SMILES (Canonical): CC1=CC(=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
• SMILES (Isomeric): CC1=CC(=C(C2=C1OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)O
• InChI: InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3
• InChI Key: BUWDKAOCACVEON-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₄O₆
• Molecular Weight: 314.29 g/mol
• Exact Mass: 314.07903816 g/mol
• Topological Polar Surface Area (TPSA): 96.20 Ų
• XlogP: 3.20

Synonyms

• 4',5,6-trihydroxy-3-methoxy-8-methylflavone
• Silpin
• CHEBI:175018
• DTXSID101145941
• LMPK12111616
• 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methylchromen-4-one
• 5,6-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methyl-4H-1-benzopyran-4-one
• 65501-41-9

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	99.40%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	97.12%	94.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	95.45%	99.15%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.85%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.79%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.56%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.01%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	90.64%	94.73%
CHEMBL2581	P07339	Cathepsin D	90.03%	98.95%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	87.56%	95.64%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.60%	95.50%
CHEMBL3194	P02766	Transthyretin	85.21%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.34%	99.17%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.06%	93.65%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.49%	99.23%
CHEMBL2717	Q9HCR9	Phosphodiesterase 11A	80.21%	85.00%

Plants that contains it

• Alcea rosea
• Alpinia roxburghii
• Balanops australiana
• Davallia perdurans
• Euonymus tingens
• Euphorbia cornigera
• Gonzalezia decurrens
• Hylocomium splendens
• Kokoona reflexa
• Maesa ramentacea
• Millettia laurentii
• Monodora tenuifolia
• Ocimum tenuiflorum
• Pinus strobus
• Pinus sylvestris
• Pluchea odorata
• Salacia lehmbachii
• Salvia yosgadensis
• Sideritis brevibracteata
• Sideroxylon cubense

Cross-Links

• PubChem: 44258710
• NPASS: NPC116272
• LOTUS: LTS0088797
• wikiData: Q104946359