AKV

{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE

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Chemical Component Summary
Name	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE
Synonyms	DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)
Identifiers	methyl 2-[3-[(1R)-1,3-dihydroxypentyl]-4,5-dihydroxy-9,10-dioxo-anthracen-2-yl]ethanoate
Formula	C₂₂ H₂₂ O₈
Molecular Weight	414.405
Type	NON-POLYMER
Isomeric SMILES	CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O
InChI	InChI=1S/C22H22O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,11,15,23-25,28H,3,8-9H2,1-2H3/t11-,15+/m0/s1
InChIKey	SIHNJMGWRHPFAZ-XHDPSFHLSA-N

Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	12

Drug Info: DrugBank

DrugBank ID	DB04624
Name	DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)
Groups	experimental
Synonyms	DERIVATIVE OF AKLANONIC ACID METHYL ESTER (AAME)

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aklanonic acid methyl ester cyclase	MSEQIAAVRRMVEAYNTGKTDDVADYIHPEYMNPGTLEFTSLRGPELFAI...	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