Fumagillol

Details

• Internal ID: dda9d39b-d0ab-4a10-9c3a-6edfeeea06bb
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
• InChI: InChI=1S/C16H26O4/c1-10(2)5-6-12-15(3,20-12)14-13(18-4)11(17)7-8-16(14)9-19-16/h5,11-14,17H,6-9H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1
• InChI Key: CEVCTNCUIVEQOY-JQOWZUPLSA-N
• Popularity: 19 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₄
• Molecular Weight: 282.37 g/mol
• Exact Mass: 282.18310931 g/mol
• Topological Polar Surface Area (TPSA): 54.50 Ų
• XlogP: 1.70

Synonyms

• 108102-51-8
• Gelcohol
• 409OS4DE8W
• (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
• CHEBI:324935
• 1-Oxaspiro(2.5)octan-6-ol, 5-methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-, (3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-
• (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl)-1-oxaspiro(2.5)octan-6-ol
• RefChem:141646
• (-)-Fumagillol
• 1-Oxaspiro[2.5]octan-6-ol,5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-,(3R,4S,5S,6R)-
• NSC9665
• Alcohol-I from Fumagillin
• (3R,4S,5S,6R)-5-methoxy-4-((2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl)-1-oxaspiro[2.5]octan-6-ol
• FOS 37; Gelcohol
• (3r,4s,5s,6r)-5-methoxy-4-[(2r,3r)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
• MLS003389373
• FOS-37
• MFCD04035560
• Alcohol-I from funagillin
• UNII-409OS4DE8W
• CHEMBL137317
• orb1298323
• SCHEMBL2553407
• DTXSID10910626
• CEVCTNCUIVEQOY-JQOWZUPLSA-N
• NSC-9665
• FUMAGILLIN, ALCOHOL I ORIGIN
• EX-A12093
• AKOS030241038
• EBC-616373
• FM61721
• MS-24014
• HY-103643
• CS-0028784
• G13259
• Q27105155
• 1-Oxaspiro[2.5]octan-6-ol,3-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-
• 1-OXASPIRO(2.5)OCTAN-6-OL, 5-METHOXY-4-((2R,3R)-2-METHYL-3-(3-METHYL-2-BUTEN-1-YL)-2-OXIRANYL)-, (3R,4S,5S,6R)-
• 5-methoxy-4-[(2R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol

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
CHEMBL3922	P50579	Methionine aminopeptidase 2	97.25%	97.28%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.07%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.82%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.56%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.87%	97.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.72%	85.14%
CHEMBL226	P30542	Adenosine A1 receptor	88.24%	95.93%
CHEMBL1937	Q92769	Histone deacetylase 2	87.01%	94.75%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.59%	95.89%
CHEMBL240	Q12809	HERG	86.44%	89.76%
CHEMBL221	P23219	Cyclooxygenase-1	85.09%	90.17%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	84.14%	92.62%
CHEMBL233	P35372	Mu opioid receptor	83.83%	97.93%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.47%	92.94%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.46%	100.00%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	82.85%	98.99%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	81.66%	95.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.21%	97.14%
CHEMBL2664	P23526	Adenosylhomocysteinase	81.04%	86.67%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 222778
• LOTUS: LTS0078522
• wikiData: Q27105155