BRZ

6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE

Created:	2001-10-16
Last modified:	2011-06-04

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1 entries where BRZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	1
Bond Count	47
Aromatic Bond Count	11

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Chemical Component Summary
Name	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE
Systematic Name (OpenEye OEToolkits)	(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydropyrano[5,6-f][1]benzoxol-7-one
Formula	C₁₉ H₂₂ O₄
Molecular Weight	314.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3Oc2cc1OC(Cc1cc2C=C3C(\C=C)(C)C)C(O)(C)C
SMILES	CACTVS	3.341	CC(C)(O)[CH]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)OC(C3)C(C)(C)O
Canonical SMILES	CACTVS	3.341	CC(C)(O)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O
InChI	InChI	1.03	InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1
InChIKey	InChI	1.03	JCDLLLXYAICSQV-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB02205
Name	(+)-Rutamarin alcohol
Groups	experimental
Synonyms	(+)-Rutamarin alcohol (+)-Chalepin
CAS number	14755-47-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glyceraldehyde-3-phosphate dehydrogenase, testis-specific	MSKRDIVLTNVTVVQLLRQPCPVTRAPPPPEPKAEVEPQPQPEPTPVREE...	unknown
Glyceraldehyde-3-phosphate dehydrogenase, glycosomal	MPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQM...	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