FSC

FUSICOCCIN

Created:	2002-12-12
Last modified:	2012-01-05

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23 entries where FSC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	104
Chiral Atom Count	13
Bond Count	107
Aromatic Bond Count	0

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Chemical Component Summary
Name	FUSICOCCIN
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₃₆ H₅₆ O₁₂
Molecular Weight	680.823
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)COC(\C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C(COC)CC4)C)C
SMILES	CACTVS	3.385	COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)COC(C)=O
SMILES	OpenEye OEToolkits	1.7.5	CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC
Canonical SMILES	CACTVS	3.385	COC[C@H]/1CC[C@H]2[C@@H](C)[C@@H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C@@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C(C[C@H](O)[C@]4(C)\C=C/12)[C@H](C)COC(C)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	C[C@@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC
InChI	InChI	1.03	InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
InChIKey	InChI	1.03	KXTYBXCEQOANSX-WYKQKOHHSA-N

Drug Info: DrugBank

DrugBank ID	DB01780
Name	Fusicoccin
Groups	experimental
Synonyms	Fusicoccin
Categories	Carbohydrates Mycotoxins
CAS number	20108-30-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
14-3-3 protein epsilon	MDDREDLVYQAKLAEQAERYDEMVESMKKVAGMDVELTVEERNLLSVAYK...	unknown

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