Isothebaine (Q27107019)

Isothebaine (English)

(6aR)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₁NO₃

1 reference

Isothebaine (English)

5 October 2016

canonical SMILES

CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=CC=C4)OC)O)OC

1 reference

Isothebaine (English)

5 October 2016

isomeric SMILES

CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC

1 reference

Alkaloids from Papaver bracteatum LINDL.

Isothebaine (English)

5 October 2016

5 references

Alkaloids of Papaver bracteatum

Constituents of Papaver bracteatum: O-methyl-α-thebaol and 10-n-nonacosanol. Lanthanide-induced chemical shifts in 1H NMR and 13C NMR

Alkaloids of Cell Suspensions Derived from Four Papaver spp. and the Effect of Temperature Stress

Salutaridine N-Oxide from the Capsules of Papaver bracteatum

Discaria serratifolia

1 reference

1,2-Dimethoxy-11-Hydroxyaporphine From Discaria serratifolia var. Montana

Papaver atlanticum

1 reference

Alkaloids from Papaver atlanticum BALL and Papaver glaucum BOISS. et HAUSKN.

Papaver nudicaule

1 reference

Alkaloids of Cell Suspensions Derived from Four Papaver spp. and the Effect of Temperature Stress

Papaver orientale

6 references

Ueber die Alkaloide von Papaver orientale

Alkaloids of Papaver orientale L

Polar alkaloids from Papaver orientale L.

Constituents of Papaver bracteatum: O-methyl-α-thebaol and 10-n-nonacosanol. Lanthanide-induced chemical shifts in 1H NMR and 13C NMR

Alkaloids ofPapaver orientale

Alkaloids from the roots of Papaver pseudo-orientale (FEDDE) MEDW.

Papaver pseudo-orientale

2 references

Constituents of Papaver bracteatum: O-methyl-α-thebaol and 10-n-nonacosanol. Lanthanide-induced chemical shifts in 1H NMR and 13C NMR

Alkaloids from the roots of Papaver pseudo-orientale (FEDDE) MEDW.

Papaver setigerum

1 reference

Alkaloids of Cell Suspensions Derived from Four Papaver spp. and the Effect of Temperature Stress

Papaver somniferum

1 reference

Alkaloids of Cell Suspensions Derived from Four Papaver spp. and the Effect of Temperature Stress

Discaria chacaye

1 reference

1,2-Dimethoxy-11-Hydroxyaporphine From Discaria serratifolia var. Montana

Commons category

Isothebaine

0 references

Identifiers

InChI

InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

1 reference

Isothebaine (English)

5 October 2016

2 references

Isothebaine (English)

5 October 2016

ChEBI release 2020-09-01

2 references

isothebaine (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=568-21-8

9 April 2021

1 reference

2,11-Dimethoxy-6aa-aporphin-1-ol (English)

5 October 2016

2 references

Isothebaine (English)

5 October 2016

44711863

1 reference

ChEBI ID

6066

mapping relation type

2 references

isothebaine (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

SureChEMBL ID

SCHEMBL554836

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

reason for deprecated rank

0 references

cannot be confirmed by other sources

1 reference

Global Substance Registration System

isothebaine (English)

5 October 2016

2 references

UNII

60CJ5Z6JA4

ISOTHEBAINE (English)

5 October 2016

1 reference

isothebaine (English)