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Paxilline

Properties

Image

Occurences in reactions

MNX_ID

MNXM68989

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₇H₃₃NO₄

charge

mass

435.24096

reference

chebi:34907

InChIKey

ACNHBCIZLNNLRS-UBGQALKQSA-N

InChI

InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1

SMILES

CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)C2=CC1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:34907 chebi:34907 kegg.compound:C13782 keggC:C13782	Paxilline
hmdb:HMDB0030323	Paxilline (1S,2R,5S,7R,11S,14S)-11-hydroxy-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁶,²⁴.0¹⁷,²²]tetracosa-9,16(24),17,19,21-pentaen-8-one paxilline
seed.compound:cpd09605 seedM:cpd09605	Paxilline paxilline
metacyc.compound:CPD-16744 metacycM:CPD-16744	paxilline
hmdb:HMDB30323 keggC:M_C13782 seedM:M_cpd09605	secondary/obsolete/fantasy identifier