About: [(1S,2R,3R,4S)-2,3-bis[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone

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About: [(1S,2R,3R,4S)-2,3-bis[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	[(1S,2R,3R,4S)-2,3-bis[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone (en)
skos:prefLabel	[(1S,2R,3R,4S)-2,3-bis[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone (en)
name	[(1S,2R,3R,4S)-2,3-bis[(1E,3E)-4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone (en)
isomeric SMILES	wds:Q104982839-96FF049E-2A7A-4FE4-9E1D-46404438BE25
isomeric SMILES	O=C([C@@H]1[C@@H](C(=O)N2CCCCC2)[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
instance of	wds:Q104982839-501EE3AA-4361-4BA2-B40C-651F8CC7408E
instance of	type of chemical entity
subclass of	wds:Q104982839-A1D2F357-C708-4D0B-BFB7-8FD4F8EB0479
subclass of	[2,3-Bis[4-(1,3-benzodioxol-5-yl)buta-1,3-dienyl]-4-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
found in taxon	wds:Q104982839-C5404699-8B94-4E77-B51F-956EC1C6A224
found in taxon	Piper nigrum
canonical SMILES	wds:Q104982839-7D06B182-D15F-4840-A4C1-49A757ABD357
InChI	wds:Q104982839-2D702E16-423C-4E47-8822-26B8B7B8C75F
InChIKey	wds:Q104982839-7C98FBF3-68B2-4B6C-9128-963AF6168ADB
chemical formula	wds:Q104982839-D0D3BF0F-B409-4FFE-BAEA-9E0C50F51E67
PubChem CID	wds:Q104982839-8D9F40CC-BB3E-41B1-B69E-2A923E9281FB
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163187974
canonical SMILES	O=C(N1CCCCC1)C2C(C=CC=CC3=CC=C4OCOC4=C3)C(C=CC=CC5=CC=C6OCOC6=C5)C2C(=O)N7CCCCC7
InChI	InChI=1S/C38H42N2O6/c41-37(39-19-7-1-8-20-39)35-29(13-5-3-11-27-15-17-31-33(23-27)45-25-43-31)30(36(35)38(42)40-21-9-2-10-22-40)14-6-4-12-28-16-18-32-34(24-28)46-26-44-32/h3-6,11-18,23-24,29-30,35-36H,1-2,7-10,19-22,25-26H2/b11-3+,12-4+,13-5+,14-6+/t29-,30-,35+,36+/m1/s1
InChIKey	DJVLRJCLHYIIKH-XBQVJQGLSA-N
chemical formula	C₃₈H₄₂N₂O₆
PubChem CID	163187974
mass	wds:Q104982839-A6EF1E44-3D11-4114-9F1F-853A8E50521B
mass	622.304287064 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q104982839
is main subject of	Alkamides from Piper nigrum L. and Their Inhibitory Activity against Human Liver Microsomal Cytochrome P450 2D6 (CYP2D6)
is main subject of	wds:Q104982837-751B651B-0DFC-4F65-9404-DAEFD9827E46

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