N-[6-[[17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide

Details

• Internal ID: 91719c40-9755-4ccd-a4bc-8834f87f5f3b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
• IUPAC Name: N-[6-[[17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide
• InChI: InChI=1S/C67H101NO19/c1-15-42-16-17-43-26-35(6)58(86-54-30-65(13,76)61(40(11)81-54)68-41(12)69)33(4)24-31(2)45-19-18-44-56(66(45,14)62(73)55-63(74)67(43,29-42)87-64(55)75)32(3)25-34(5)59(44)84-51-23-21-48(37(8)78-51)82-53-28-49(83-50-22-20-46(70)36(7)77-50)60(39(10)80-53)85-52-27-47(71)57(72)38(9)79-52/h16-19,24,26,32-34,36-40,42-54,56-61,70-73,76H,15,20-23,25,27-30H2,1-14H3,(H,68,69)
• InChI Key: FEGHOCVLQWUBQZ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆₇H₁₀₁NO₁₉
• Molecular Weight: 1224.50 g/mol
• Exact Mass: 1223.69677999 g/mol
• Topological Polar Surface Area (TPSA): 266.00 Ų
• XlogP: 7.10

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	99.60%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	98.96%	83.82%
CHEMBL2581	P07339	Cathepsin D	96.29%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.94%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.74%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.66%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	91.58%	86.33%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.35%	96.95%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	90.89%	96.77%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.59%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	88.98%	94.73%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.43%	100.00%
CHEMBL226	P30542	Adenosine A1 receptor	87.95%	95.93%
CHEMBL221	P23219	Cyclooxygenase-1	87.70%	90.17%
CHEMBL241	Q14432	Phosphodiesterase 3A	86.96%	92.94%
CHEMBL4208	P20618	Proteasome component C5	86.90%	90.00%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	86.46%	95.64%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	85.55%	94.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.25%	94.45%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	84.61%	97.14%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	84.57%	99.23%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	83.95%	90.93%
CHEMBL5028	O14672	ADAM10	83.21%	97.50%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.16%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.35%	94.00%
CHEMBL5255	O00206	Toll-like receptor 4	81.96%	92.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 76179723
• LOTUS: LTS0213879
• wikiData: Q103818924