S1A

SORAPHEN A

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is present as a standalone ligand in 3 entries

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Chemical Component Summary
Name	SORAPHEN A
Identifiers	(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
Formula	C₂₉ H₄₄ O₈
Molecular Weight	520.655
Type	NON-POLYMER
Isomeric SMILES	C[C@H]1\C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC
InChI	InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
InChIKey	WPMGNXPRKGXGBO-OFQQMTDKSA-N

Chemical Details
Formal Charge	0
Atom Count	81
Chiral Atom Count	10
Bond Count	83
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB02859
Name	Soraphen A
Groups	experimental
Synonyms	Soraphen A
Categories	Lactones Polyketides
CAS number	122547-72-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Acetyl-CoA carboxylase 2	MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPA...	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