Lyophyllone A

Details

• Internal ID: 9a944717-0231-4d9e-a169-131f0a9f5f85
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3aR,4S,5R,5aR,9aR,9bS)-3a,4,9b-trihydroxy-5,8-dimethyl-1-methylidene-5,5a,6,9a-tetrahydro-4H-benzo[e][1]benzofuran-7-one
• InChI: InChI=1S/C15H20O5/c1-7-4-11-10(5-12(7)16)9(3)13(17)15(19)14(11,18)8(2)6-20-15/h4,9-11,13,17-19H,2,5-6H2,1,3H3/t9-,10-,11+,13+,14-,15-/m1/s1
• InChI Key: GLHDTCDWPSSAKH-YJBMVLHGSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₅
• Molecular Weight: 280.32 g/mol
• Exact Mass: 280.13107373 g/mol
• Topological Polar Surface Area (TPSA): 87.00 Ų
• XlogP: -0.90

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	95.73%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.97%	85.14%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.96%	95.56%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	87.82%	94.80%
CHEMBL2581	P07339	Cathepsin D	87.31%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.53%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.38%	89.00%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	86.36%	86.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.23%	96.09%
CHEMBL1937	Q92769	Histone deacetylase 2	83.74%	94.75%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.63%	92.94%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.33%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.45%	94.45%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.56%	90.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 72696297
• LOTUS: LTS0211990
• wikiData: Q77508505