Search MNXref
 Feedback

5-methoxy-2-methyl-3-(all-trans-octaprenyl)benzene-1,4-diol

PropertiesImage
MNX_IDMNXM1363932 Image of MNXM1363932
referencechebi:60656
formulaC48H74O3
global charge0
mol weight699.117
InChIKeyHDSGDGSLNMIMKU-KFSSTAEESA-N
InChIInChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+
SMILESCOC1=C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+ Image of MNXM1363932
SMILES (mnx)[CH3:1][C:36]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:37]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:38]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:39]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:40]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:41]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:42]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:43]([CH3:9])=[CH:33]/[CH2:34][C:45]1=[C:44]([CH3:10])[C:46]([OH:49])=[CH:35][C:47]([O:51][CH3:11])=[C:48]1[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60656
chebi:60656
HDSGDGSLNMIMKU-KFSSTAEESA-N 		5-methoxy-2-methyl-3-(all-trans-octaprenyl)benzene-1,4-diol
2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
3-octaprenyl-2-methyl-5-methoxy-1,4-benzoquinol
5-methoxy-2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,4-diol
5-methoxy-2-methyl-3-octaprenylhydroquinone
5-methoxy-2-methyl-3-octaprenylquinol
6-methoxy-3-methyl-2-octaprenylhydroquinone
6-methoxy-3-methyl-2-octaprenylquinol

seed.compound:cpd15361
seedM:cpd15361
HDSGDGSLNMIMKU-KFSSTAEESA-N 		2-Octaprenyl3-methyl-6-methoxy- 1,4-benzoquinol
2-Octaprenyl-3-methyl-6-methoxy- 1,4-benzoquinol
2-Octaprenyl-3-methyl-6-methoxy-1-4-benzoquinol
2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol
2-octaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
2-octaprenyl-3-methyl-6-methoxyhydroquinone
2-octaprenyl-3-methyl-6-methoxyquinol
2ommbl
6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-octaprenylquinol

metacyc.compound:OCTAPRENYL-METHYL-METHOXY-BENZQ
metacycM:OCTAPRENYL-METHYL-METHOXY-BENZQ
HDSGDGSLNMIMKU-KFSSTAEESA-N 		6-methoxy-3-methyl-2-all-trans-octaprenyl-1,4-benzoquinol
2-octaprenyl-3-methyl-6-methoxy-1,4-benzenediol
2-octaprenyl-3-methyl-6-methoxyhydroquinone
2-octaprenyl-3-methyl-6-methoxyquinol
6-methoxy-3-methyl-2-octaprenylquinol

seedM:M_cpd15361 		secondary/obsolete/fantasy identifier