Penifulvin E

Details

• Internal ID: 6ac58755-ada5-42a7-9278-3d870f27b3c4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: (1S,4S,8R,11S,13S,14S)-13-hydroxy-8,10,10-trimethyl-3,5-dioxatetracyclo[6.5.1.04,14.011,14]tetradecane-2,6-dione
• SMILES (Canonical): CC1(CC2(CC(=O)OC3C24C1CC(C4C(=O)O3)O)C)C
• SMILES (Isomeric): C[C@@]12CC(=O)O[C@@H]3[C@]14[C@@H](C[C@@H]([C@H]4C(=O)O3)O)C(C2)(C)C
• InChI: InChI=1S/C15H20O5/c1-13(2)6-14(3)5-9(17)19-12-15(14)8(13)4-7(16)10(15)11(18)20-12/h7-8,10,12,16H,4-6H2,1-3H3/t7-,8-,10-,12-,14-,15+/m0/s1
• InChI Key: WCGQSACAGPUTQJ-UADRLTJBSA-N
• Popularity: 1 reference 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): 72.80 Ų
• XlogP: 1.70

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	96.69%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.55%	85.14%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.15%	97.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.53%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.24%	95.56%
CHEMBL2581	P07339	Cathepsin D	82.83%	98.95%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.68%	99.23%
CHEMBL325	Q13547	Histone deacetylase 1	81.64%	95.92%
CHEMBL1937	Q92769	Histone deacetylase 2	81.30%	94.75%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	80.45%	89.34%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11994448
• LOTUS: LTS0078431
• wikiData: Q77310174