1-Methoxy-4-penta-2,4-diynyl-benzene

Details

• Internal ID: 3e86e470-ee4c-4606-bfe1-b99cb4b815f5
• Taxonomy: Benzenoids > Phenol ethers > Anisoles
• IUPAC Name: 1-methoxy-4-penta-2,4-diynylbenzene
• InChI: InChI=1S/C12H10O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h1,7-10H,6H2,2H3
• InChI Key: QJHNFNLMDRYVDC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O
• Molecular Weight: 170.21 g/mol
• Exact Mass: 170.073164938 g/mol
• Topological Polar Surface Area (TPSA): 9.20 Ų
• XlogP: 2.80

Synonyms

There are no found synonyms.

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.84%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	94.51%	90.17%
CHEMBL2487	P05067	Beta amyloid A4 protein	88.09%	96.74%
CHEMBL2039	P27338	Monoamine oxidase B	87.33%	92.51%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	85.37%	95.50%
CHEMBL2581	P07339	Cathepsin D	85.36%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.25%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	85.23%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	84.05%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.63%	94.00%
CHEMBL4208	P20618	Proteasome component C5	83.52%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.48%	99.17%
CHEMBL1907	P15144	Aminopeptidase N	83.00%	93.31%

Plants that contains it

• Artemisia dracunculus

Cross-Links

• PubChem: 12338988
• LOTUS: LTS0219785
• wikiData: Q105222678