6-Hydroxymethylherniarin

Details

• Internal ID: 3b56d054-b478-43fe-9ea4-f523ff5c7757
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives
• IUPAC Name: 6-(hydroxymethyl)-7-methoxychromen-2-one
• InChI: InChI=1S/C11H10O4/c1-14-9-5-10-7(4-8(9)6-12)2-3-11(13)15-10/h2-5,12H,6H2,1H3
• InChI Key: ZYRLZLIMDGNMHZ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₀O₄
• Molecular Weight: 206.19 g/mol
• Exact Mass: 206.05790880 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 1.00

Synonyms

• 117597-79-2
• 6-(hydroxymethyl)-7-methoxychromen-2-one
• 6-(hydroxymethyl)-7-methoxy-2H-chromen-2-one
• CHEBI:183605
• AKOS040736213
• FS-7884

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	94.42%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	93.99%	94.00%
CHEMBL2581	P07339	Cathepsin D	91.62%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.16%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.75%	99.17%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.40%	86.33%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.37%	92.62%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.84%	93.99%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.63%	96.00%
CHEMBL1255126	O15151	Protein Mdm4	83.08%	90.20%
CHEMBL4208	P20618	Proteasome component C5	82.46%	90.00%
CHEMBL3401	O75469	Pregnane X receptor	81.61%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14212558
• LOTUS: LTS0181735
• wikiData: Q105386365