OVA

3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE

Created:	1999-07-23
Last modified:	2024-09-27

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2 entries where OVA is found as a standalone ligand2 entries where OVA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	48
Aromatic Bond Count	0

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Chemical Component Summary
Name	3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE
Synonyms	OVALICIN
Systematic Name (OpenEye OEToolkits)	(2S,3R,4R)-3,4-dihydroxy-2-methoxy-4-methyl-3-[(2S,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
Formula	C₁₆ H₂₆ O₅
Molecular Weight	298.375
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)CC2
SMILES	CACTVS	3.341	CO[CH]1C(=O)CC[C](C)(O)[C]1(O)[C]2(C)O[CH]2CC=C(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCC1C(O1)(C)C2(C(C(=O)CCC2(C)O)OC)O)C
Canonical SMILES	CACTVS	3.341	CO[C@@H]1C(=O)CC[C@@](C)(O)[C@@]1(O)[C@@]2(C)O[C@@H]2CC=C(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@H](C(=O)CC[C@@]2(C)O)OC)O)C
InChI	InChI	1.03	InChI=1S/C16H26O5/c1-10(2)6-7-12-15(4,21-12)16(19)13(20-5)11(17)8-9-14(16,3)18/h6,12-13,18-19H,7-9H2,1-5H3/t12-,13-,14-,15+,16-/m1/s1
InChIKey	InChI	1.03	UOXVFQCRPDLSFN-DGXTUMSLSA-N

Drug Info: DrugBank

DrugBank ID	DB04324
Name	Ovalicin
Groups	experimental
Synonyms	Ovalicin
Categories	Terpenes

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Methionine aminopeptidase 1	MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKL...	unknown
Methionine aminopeptidase 2	MAGVEEVAASGSHLNGDLDPDDREEGAASTAEEAAKKKRRKKKKSKGPSA...	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