[8-Acetyloxy-10-[4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] 3-methylpent-2-enoate

Details

• Internal ID: ed118506-4a1d-4415-b3d5-1f7d600065e6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones
• IUPAC Name: [8-acetyloxy-10-[4-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-ylidene]-3,7-dimethyldeca-2,6-dienyl] 3-methylpent-2-enoate
• InChI: InChI=1S/C28H40O7/c1-8-19(4)17-26(30)33-15-14-20(5)10-9-11-21(6)24(34-22(7)29)13-12-23-27(31)25(16-18(2)3)35-28(23)32/h11-12,14,16-17,24-25,27,31H,8-10,13,15H2,1-7H3
• InChI Key: IFIXNNUDHKJNPR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₄₀O₇
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.27740361 g/mol
• Topological Polar Surface Area (TPSA): 99.10 Ų
• XlogP: 5.80

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
CHEMBL2581	P07339	Cathepsin D	92.95%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.77%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.66%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.11%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.52%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.17%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	87.96%	94.73%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.42%	99.23%
CHEMBL253	P34972	Cannabinoid CB2 receptor	86.21%	97.25%
CHEMBL340	P08684	Cytochrome P450 3A4	85.07%	91.19%
CHEMBL1806	P11388	DNA topoisomerase II alpha	85.04%	89.00%

Plants that contains it

• Salix cheilophila

Cross-Links

• PubChem: 162900494
• LOTUS: LTS0133019
• wikiData: Q105112206