Search MNXref
 Feedback

20,21-diprenylterpendole I

MNXM146901 is deprecated and here replaced by MNXM1100320
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1100320 Image of MNXM1100320
referencechebi:181372
formulaC37H51NO5
global charge0
mol weight589.817
InChIKeyHLCKUKPXCBHDAV-HNOCWHLJSA-N
InChIInChI=1S/C37H51NO5/c1-20(2)9-11-22-12-14-26-28(24(22)13-10-21(3)4)25-19-23-15-18-36(41)34(7,35(23,8)30(25)38-26)17-16-27-37(36)32(43-37)29(39)31(42-27)33(5,6)40/h9-10,12,14,23,27,29,31-32,38-41H,11,13,15-19H2,1-8H3/t23-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1
SMILESCC(C)=CCC1=C(CC=C(C)C)C2=C(C=C1)NC1=C2C[C@@H]2CC[C@@]3(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@]3(C)[C@@]12C
MNX internals
InChI (mnx)InChI=1/C37H51NO5/c1-20(2)9-11-22-12-14-26-28(24(22)13-10-21(3)4)25-19-23-15-18-36(41)34(7,35(23,8)30(25)38-26)17-16-27-37(36)32(43-37)29(39)31(42-27)33(5,6)40/h9-10,12,14,23,27,29,31-32,38-41H,11,13,15-19H2,1-8H3/t23-,27-,29+,31-,32+,34+,35+,36-,37-/m0/s1 Image of MNXM1100320
SMILES (mnx)[CH3:1][C:20]([CH3:2])=[CH:9][CH2:11][C:22]1=[C:24]([CH2:13][CH:10]=[C:21]([CH3:3])[CH3:4])[C:28]2=[C:26]([CH:14]=[CH:12]1)[NH:38][C:30]1=[C:25]2[CH2:19][C@@H:23]2[CH2:15][CH2:18][C@:36]3([OH:41])[C@:34]([CH3:7])([CH2:17][CH2:16][C@H:27]4[C@:37]35[C@@H:32]([C@H:29]([OH:39])[C@@H:31]([C:33]([CH3:5])([CH3:6])[OH:40])[O:42]4)[O:43]5)[C@:35]21[CH3:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:181372
chebi:181372
HLCKUKPXCBHDAV-HNOCWHLJSA-N 		20,21-diprenylterpendole I
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-19,20-bis(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol

seed.compound:cpd31173
seedM:cpd31173
kegg.compound:C20532
keggC:C20532
HLCKUKPXCBHDAV-HNOCWHLJSA-N 		20,21-Diprenylterpendole I

metacyc.compound:CPD-17199
metacycM:CPD-17199
seed.compound:cpd35047
seedM:cpd35047
HLCKUKPXCBHDAV-UYJLGJPISA-N 		20,21-diprenylterpendole I

keggC:M_C20532
seedM:M_cpd31173
seedM:M_cpd35047 		secondary/obsolete/fantasy identifier