Griffithane B (10)

Details

• Internal ID: 75dcbb92-bafb-44aa-bb10-84dc2ee288c0
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols
• IUPAC Name: 4-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
• SMILES (Canonical): COC1=C(C=CC(=C1)CCCC2=C(C=C(C=C2)O)OC)O
• SMILES (Isomeric): COC1=C(C=CC(=C1)CCCC2=C(C=C(C=C2)O)OC)O
• InChI: InChI=1S/C17H20O4/c1-20-16-11-14(18)8-7-13(16)5-3-4-12-6-9-15(19)17(10-12)21-2/h6-11,18-19H,3-5H2,1-2H3
• InChI Key: DWDSYTBAOIEKLG-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₀O₄
• Molecular Weight: 288.34 g/mol
• Exact Mass: 288.13615911 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.90

Synonyms

• SCHEMBL6824591
• BDBM112637

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	97.90%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.07%	96.09%
CHEMBL2581	P07339	Cathepsin D	94.72%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.33%	99.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	92.45%	95.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.19%	86.33%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	89.65%	96.09%
CHEMBL2535	P11166	Glucose transporter	88.83%	98.75%
CHEMBL1255126	O15151	Protein Mdm4	87.09%	90.20%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.14%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	86.00%	89.62%
CHEMBL3230	O95977	Sphingosine 1-phosphate receptor Edg-6	85.67%	94.01%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.94%	96.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.79%	94.45%
CHEMBL3194	P02766	Transthyretin	83.17%	90.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.10%	94.00%
CHEMBL4208	P20618	Proteasome component C5	82.27%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.84%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.13%	95.89%

Plants that contains it

• Broussonetia papyrifera
• Iryanthera coriacea
• Iryanthera elliptica
• Virola surinamensis

Cross-Links

• PubChem: 21596147
• LOTUS: LTS0221137
• wikiData: Q104990495