FUG

FUMAGILLIN

Created:	2001-03-28
Last modified:	2024-09-27

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2 entries where FUG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	6
Bond Count	70
Aromatic Bond Count	0

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Chemical Component Summary
Name	FUMAGILLIN
Systematic Name (OpenEye OEToolkits)	(2E,4E,6E)-10-[(1R,2S,3S,4R)-4-hydroxy-2-methoxy-4-methyl-3-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexyl]oxy-10-oxo-deca-2,4,6,8-tetraenoic acid
Formula	C₂₆ H₃₆ O₇
Molecular Weight	460.56
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)\C=C\C=C\C=C\C=C\C(=O)OC2CCC(O)(C(C1(OC1C/C=C(/C)C)C)C2OC)C
SMILES	CACTVS	3.341	CO[CH]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C(C)C)OC(=O)C=CC=CC=CC=CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C
Canonical SMILES	CACTVS	3.341	CO[C@@H]1[C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@H]2CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C
InChI	InChI	1.03	InChI=1S/C26H36O7/c1-18(2)14-15-20-26(4,33-20)24-23(31-5)19(16-17-25(24,3)30)32-22(29)13-11-9-7-6-8-10-12-21(27)28/h6-14,19-20,23-24,30H,15-17H2,1-5H3,(H,27,28)/b8-6+,9-7+,12-10+,13-11+/t19-,20-,23-,24+,25-,26+/m1/s1
InChIKey	InChI	1.03	XXVWUXWNPOXVQB-ZFSLZHKLSA-N

Drug Info: DrugBank

DrugBank ID	DB02640
Name	Fumagillin
Groups	experimental
Synonyms	Fumagillin fumagilina
Categories	Angiogenesis Inhibitors Angiogenesis Modulating Agents Anti-Infective Agents Antineoplastic Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Antiprotozoals Cycloparaffins Fatty Acids Growth Inhibitors Growth Substances Lipids Terpenes
ATC-Code	P01AX10
CAS number	23110-15-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methionine aminopeptidase 2	MAGVEEVAASGSHLNGDLDPDDREEGAASTAEEAAKKKRRKKKKSKGPSA...	unknown	ligand

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682