Enukokurin

Details

• Internal ID: 6e822ff4-1029-4305-89a5-a94376b710a6
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Jatrophane and cyclojatrophane diterpenoids
• IUPAC Name: [(1S,2S,3aR,5S,6E,11S)-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-4,9-dioxo-1-propanoyloxy-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-13-yl] benzoate
• InChI: InChI=1S/C34H44O10/c1-9-23(35)42-26-20(5)17-34(41)24(26)27(43-32(40)22-13-11-10-12-14-22)21(6)28(44-31(39)18(2)3)25(36)30(38)33(7,8)16-15-19(4)29(34)37/h10-16,18-20,24-28,36,41H,6,9,17H2,1-5,7-8H3/b16-15+/t19-,20-,24?,25?,26-,27?,28-,34+/m0/s1
• InChI Key: MDIRGKGFBPGERR-VNYSSRHDSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₃₄H₄₄O₁₀
• Molecular Weight: 612.70 g/mol
• Exact Mass: 612.29344760 g/mol
• Topological Polar Surface Area (TPSA): 154.00 Ų
• XlogP: 4.60

Synonyms

• NSC616973
• NSC-616973

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
CHEMBL221	P23219	Cyclooxygenase-1	98.34%	90.17%
CHEMBL1951	P21397	Monoamine oxidase A	97.51%	91.49%
CHEMBL2581	P07339	Cathepsin D	96.90%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.32%	97.25%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.76%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.42%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.45%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.23%	95.56%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.99%	96.47%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.49%	89.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.49%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.94%	99.23%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	84.07%	82.69%
CHEMBL340	P08684	Cytochrome P450 3A4	83.37%	91.19%
CHEMBL5028	O14672	ADAM10	83.35%	97.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.76%	95.89%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.54%	91.07%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.94%	92.62%

Plants that contains it

• Euphorbia lateriflora

Cross-Links

• PubChem: 5386690
• LOTUS: LTS0126718
• wikiData: Q105161779