Structure Database (LMSD)
Common Name
fumagillin
Systematic Name
(2E,4E,6E,8E)-10-({(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]oct-6-yl}oxy)-10-oxodeca-2,4,6,8-tetraenoic acid
Synonyms
- 2,4,6,8-decatetraenedioic acid, 4-(1,2-epoxy-1,5-dimethyl-4-hexenyl)-5-methoxy-1-oxaspiro(2,5)oct-6-yl ester
- Fumagillin
3D model of fumagillin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
NGGMYCMLYOUNGM-CSDLUJIJSA-N
InChi (Click to copy)
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)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1
SMILES (Click to copy)
[C@]1([C@]2(OC2)CC[C@@H](OC(=O)/C=C/C=C/C=C/C=C/C(O)=O)[C@H]1OC)([H])[C@]1(C)[C@@H](C/C=C(/C)\C)O1
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
3
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
464.33
Topological Polar Surface Area
97.89
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
logP
5.63
Molar Refractivity
126.66
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Created at
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Updated at
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