Erioflorin methacrylate

Details

• Internal ID: 597add63-0298-47cd-82d3-10a5df4cac44
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives
• IUPAC Name: [(1R,2R,4R,6R,8S,9Z,11R)-4,9-dimethyl-14-methylidene-2-(2-methylprop-2-enoyloxy)-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-8-yl] 2-methylprop-2-enoate
• SMILES (Canonical): CC1=CC2C(C(CC3(C(O3)CC1OC(=O)C(=C)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
• SMILES (Isomeric): C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](O3)C[C@@H]1OC(=O)C(=C)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2
• InChI: InChI=1S/C23H28O7/c1-11(2)20(24)27-15-9-18-23(7,30-18)10-17(29-21(25)12(3)4)19-14(6)22(26)28-16(19)8-13(15)5/h8,15-19H,1,3,6,9-10H2,2,4-5,7H3/b13-8-/t15-,16+,17+,18+,19-,23+/m0/s1
• InChI Key: DFCLHINCVSRYBX-FVQSLUMHSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₃H₂₈O₇
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.18350323 g/mol
• Topological Polar Surface Area (TPSA): 91.40 Ų
• XlogP: 3.20

Synonyms

• 50816-66-5
• C09413
• CHEBI:4834
• Q27106498
• [(1R,2R,4R,6R,8S,9Z,11R)-4,9-Dimethyl-14-methylidene-2-(2-methylprop-2-enoyloxy)-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-8-yl] 2-methylprop-2-enoate

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	96.67%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.35%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.43%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.04%	86.33%
CHEMBL340	P08684	Cytochrome P450 3A4	87.26%	91.19%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	87.24%	99.23%
CHEMBL221	P23219	Cyclooxygenase-1	86.48%	90.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.07%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.35%	97.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	84.29%	95.50%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.28%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	84.02%	97.79%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.82%	85.14%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.48%	94.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.53%	100.00%

Plants that contains it

• Podanthus mitiqui
• Podanthus ovatifolius

Cross-Links

• PubChem: 5281444
• LOTUS: LTS0100191
• wikiData: Q27106498