7-ethenyl-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-diol

Details

• Internal ID: 5dc243c5-0c41-40b6-bad6-89e908ed162b
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: 7-ethenyl-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalene-1,4-diol
• InChI: InChI=1S/C16H20O2/c1-5-16(4)9-12-11(8-13(16)10(2)3)14(17)6-7-15(12)18/h5-7,13,17-18H,1-2,8-9H2,3-4H3
• InChI Key: HNLMYQMBFUBQON-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₂
• Molecular Weight: 244.33 g/mol
• Exact Mass: 244.146329876 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.50

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.21%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	99.16%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.31%	96.09%
CHEMBL2581	P07339	Cathepsin D	90.84%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.78%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.91%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.28%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.48%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.84%	86.33%
CHEMBL3492	P49721	Proteasome Macropain subunit	80.72%	90.24%

Plants that contains it

• Cordia alliodora
• Cordia fragrantissima
• Cordia globifera
• Tabernaemontana divaricata

Cross-Links

• PubChem: 71439030
• LOTUS: LTS0084322
• wikiData: Q104920421