(3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone (Q27163495)

NCGC00238427-01 (English)

9 October 2016

chemical formula

C₂₅H₃₁NO₆

1 reference

NCGC00238427-01 (English)

9 October 2016

canonical SMILES

CC1CC(CN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C

1 reference

NCGC00238427-01 (English)

9 October 2016

isomeric SMILES

CC1CC(CN(C1)C(=O)C[C@@H](C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C

1 reference

NCGC00238427-01 (English)

InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15?,16?,19-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

NCGC00238427-01 (English)

YEKVAIMYYCZDLI-RJYAGPCLSA-N

9 October 2016

InChIKey

2 references

NCGC00238427-01 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3S)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone (English)

9 October 2016

2 references

NCGC00238427-01 (English)

matched by identifier from

9 October 2016

InChIKey

YEKVAIMYYCZDLI-RJYAGPCLSA-N

ChEBI ID

91672

mapping relation type

2 references

(3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone (English)