[10-(Hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate

Details

• Internal ID: 782052ac-085c-431a-b692-2dd92e3eee3f
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives
• IUPAC Name: [10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-(hydroxymethyl)prop-2-enoate
• InChI: InChI=1S/C19H24O6/c1-12(9-20)18(22)24-11-14-4-3-5-15(10-21)8-17-16(7-6-14)13(2)19(23)25-17/h5-6,16-17,20-21H,1-4,7-11H2
• InChI Key: JOUCMZSFDFFLDB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₆
• Molecular Weight: 348.40 g/mol
• Exact Mass: 348.15728848 g/mol
• Topological Polar Surface Area (TPSA): 93.10 Ų
• XlogP: 0.80

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.20%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.60%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.66%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.32%	97.25%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.00%	99.17%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.83%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.79%	95.56%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.95%	99.23%

Plants that contains it

• Mikania cordifolia

Cross-Links

• PubChem: 73228195
• LOTUS: LTS0127496
• wikiData: Q105132536