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
LM ID
LMPR0103060003
Status
Active
Exact Mass
Calculate m/z
458.230455
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

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

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
Cayman ID

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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