About: (1R,2R,4R,5Z,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol

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About: (1R,2R,4R,5Z,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol Goto Sponge Distinct 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	(1R,2R,4R,5Z,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol (en)
skos:prefLabel	(1R,2R,4R,5Z,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol (en)
name	(1R,2R,4R,5Z,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol (en)
isomeric SMILES	wds:Q105009091-AF37C03D-5355-425F-BA95-E2B7D5F524C5
isomeric SMILES	O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C\CCCCN3[C@@H]21
instance of	wds:Q105009091-878A5A5B-8777-4188-9963-1C8300F632D8
instance of	group of stereoisomers
subclass of	wds:Q105009091-AD86BB44-5BEB-4FB8-8C59-752239543358 wds:Q105009091-CAB8920C-30E4-4357-9852-01978E388FA6
subclass of	beta-carboline alkaloid manzamine alkaloid
found in taxon	wds:Q105009091-E8FE86EB-5855-4795-8315-F84367730C47
found in taxon	Amphimedon
canonical SMILES	wds:Q105009091-D8E40A63-182C-4DDC-A297-EFA3AD5C57BF
InChI	wds:Q105009091-F3E8A8E7-D008-4FA2-B41F-7F9F54DBF0BF
InChIKey	wds:Q105009091-48ACB95B-109A-4016-82F5-FE822FF872C5
chemical formula	wds:Q105009091-7AA38011-E029-4564-95FA-CD85D9C4E798
PubChem CID	wds:Q105009091-BE6D818C-970C-4B2D-94D7-68E374A12675
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163190279
canonical SMILES	OC12C=C(C3=NCCC=4C=5C=CC=CC5NC34)C6CCN(CCCCC=CCC1)CC76CC8C=CCCCCN8C27
InChI	InChI=1S/C36H46N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-15,24,26,30,34,38,41H,2-3,5-6,10-12,16-23,25H2/b4-1+,13-7-/t26-,30-,34+,35-,36-/m0/s1
InChIKey	GILIOBQLHZOVPZ-SHIWRGCWSA-N
chemical formula	C₃₆H₄₆N₄O
PubChem CID	163190279
mass	wds:Q105009091-3EC58914-B21E-4C98-86C3-68DFA0DAEE16
mass	550.367162092 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105009091
is subclass of of	(1R,2R,4R,12R,13S,16E)-25-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
is subclass of of	wds:Q105009090-3811AEB6-20EF-4C2C-B6BF-D861A83EC3AE
is main subject of	Three new manzamine congeners from amphimedon sponge
is main subject of	wds:Q74583626-01133D43-EBFF-4379-B453-A7704470836B

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