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23110-15-8 molecular structure
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10-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid

ChemBase ID: 106091
Molecular Formular: C26H34O7
Molecular Mass: 458.54396
Monoisotopic Mass: 458.23045343
SMILES and InChIs

SMILES:
COC1C(CCC2(CO2)C1C1(C)OC1CC=C(C)C)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O
Canonical SMILES:
COC1C(CCC2(C1C1(C)OC1CC=C(C)C)CO2)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O
InChI:
InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)
InChIKey:
NGGMYCMLYOUNGM-UHFFFAOYSA-N

Cite this record

CBID:106091 http://www.chembase.cn/molecule-106091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-10-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
IUPAC Traditional name
10-({5-methoxy-4-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
fumagillin
Synonyms
FUMAGILLIN
Fumagillin from Aspergillus fumigatus
CAS Number
23110-15-8
EC Number
245-433-8
MDL Number
MFCD03990453
PubChem SID
24894920
162092889
PubChem CID
5353634

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5353634 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 1.5717199  Log P 4.048655 
Molar Refractivity 128.3748 cm3 Polarizability 48.59852 Å3
Polar Surface Area 97.89 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five true  Acid pKa 4.884221 
H Acceptors H Donor
LogD (pH = 5.5) 3.339205 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
ethanol: soluble1 mg/mL expand Show data source
Apperance
white powder expand Show data source
Storage Condition
2-8°C expand Show data source
RTECS
HE1750000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥90% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02199027 external link
Purity: 98%
From Aspergillus fumigatus
Sigma Aldrich - F6771 external link
Biochem/physiol Actions
Methionine aminopeptidase-2 (MetAP-2) inhibitor; inhibits endothelial cell proliferation and angiogenesis.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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