[(6S,7R)-4-acetyloxy-6-ethenyl-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-5H-naphthalen-1-yl] acetate

Details

• Internal ID: cd08bf4a-5186-4e59-afa5-bf6b389ec071
• Taxonomy: Benzenoids > Tetralins
• IUPAC Name: [(6S,7R)-4-acetyloxy-6-ethenyl-6-methyl-7-prop-1-en-2-yl-7,8-dihydro-5H-naphthalen-1-yl] acetate
• InChI: InChI=1S/C20H24O4/c1-7-20(6)11-16-15(10-17(20)12(2)3)18(23-13(4)21)8-9-19(16)24-14(5)22/h7-9,17H,1-2,10-11H2,3-6H3/t17-,20-/m1/s1
• InChI Key: SRGHBWCDQWJMPC-YLJYHZDGSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.16745924 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 4.70

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
CHEMBL1951	P21397	Monoamine oxidase A	95.34%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.04%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.44%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	94.43%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.15%	86.33%
CHEMBL2581	P07339	Cathepsin D	87.34%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.45%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.35%	95.56%
CHEMBL340	P08684	Cytochrome P450 3A4	83.54%	91.19%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.75%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.53%	89.00%

Plants that contains it

• Cordia globifera

Cross-Links

• PubChem: 45272200
• LOTUS: LTS0113006
• wikiData: Q105259078