CZA

(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE

Created:	2006-12-20
Last modified:	2011-06-04

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10 entries where CZA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	3
Bond Count	49
Aromatic Bond Count	10

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Chemical Component Summary
Name	(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₀ H₂₀ N₂ O₃
Molecular Weight	336.384
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C4C(C(=O)C)=C(O)N5C(C3Cc2c1c(cnc1ccc2)C3C45)(C)C
SMILES	CACTVS	3.341	CC(=O)C1=C(O)N2[CH]([CH]3[CH](Cc4cccc5[nH]cc3c45)C2(C)C)C1=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)C1=C(N2C(C1=O)C3c4c[nH]c5c4c(ccc5)CC3C2(C)C)O
Canonical SMILES	CACTVS	3.341	CC(=O)C1=C(O)N2[C@@H]([C@@H]3[C@@H](Cc4cccc5[nH]cc3c45)C2(C)C)C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O
InChI	InChI	1.03	InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,25H,7H2,1-3H3/t12-,16+,17+/m1/s1
InChIKey	InChI	1.03	RLOAZVAJNNPPDI-DQYPLSBCSA-N

Drug Info: DrugBank

DrugBank ID	DB07604
Name	(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE
Groups	experimental
Synonyms	(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	MEAAHAKTTEECLAYFGVSETTGLTPDQVKRNLEKYGLNELPAEEGKTLW...	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