Homogynolide A

Details

• Internal ID: 6729fd5a-764f-44f0-9da9-96dc068e7fbd
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: [(5R,7R,7aS)-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-5-yl] (Z)-2-methylbut-2-enoate
• InChI: InChI=1S/C20H28O4/c1-6-12(2)17(21)24-16-7-13(3)19(5)11-20(9-15(19)8-16)14(4)10-23-18(20)22/h6,13,15-16H,4,7-11H2,1-3,5H3/b12-6-/t13-,15?,16-,19+,20?/m1/s1
• InChI Key: MWSPVJLLEYHEMD-NHDLFVIJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈O₄
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.19875937 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 3.70

Synonyms

• (-)-Homogynolide A
• 2-(Angeloyloxy)bakkenolide A
• 2-Butenoic acid, 2-methyl-, (2'R,3'aS,5'S,7'S,7'aR)-decahydro-7',7'a- dimethyl-4-methylene-2-oxospiro(furan-3(2H),2'-(2H)inden)-5'-yl ester, (2Z)-
• 60825-02-7

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.64%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.84%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	90.47%	91.19%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.43%	92.94%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.21%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.09%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.06%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.34%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.89%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.04%	86.33%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	83.94%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.34%	97.25%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	82.12%	91.24%
CHEMBL1951	P21397	Monoamine oxidase A	81.90%	91.49%
CHEMBL1937	Q92769	Histone deacetylase 2	81.14%	94.75%

Plants that contains it

• Homogyne alpina

Cross-Links

• PubChem: 124201476
• LOTUS: LTS0085168
• wikiData: Q104251913