(Q27114075)

Homochelidonine (English)

(4bS,5S,11bS)-1,2-dimethoxy-12-methyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₃NO₅

1 reference

Homochelidonine (English)

18 November 2016

canonical SMILES

CN1CC2=C(C=CC(=C2OC)OC)C3C1C4=CC5=C(C=C4CC3O)OCO5

1 reference

Homochelidonine (English)

18 November 2016

isomeric SMILES

CN1CC2=C(C=CC(=C2OC)OC)[C@@H]3[C@H]1C4=CC5=C(C=C4C[C@@H]3O)OCO5

1 reference

Homochelidonine (English)

18 November 2016

found in taxon

Eschscholzia californica

1 reference

Direct characterization of isoquinoline alkaloids in a crude plant extract by ion-pair liquid chromatography-electrospray ionization tandem mass spectrometry: example of Eschscholtzia californica

Chelidonium majus

2 references

(-)-Turkiyenine, a New Alkaloid from Chelidonium majus

Reversed-phase high-performance liquid chromatographic separation of tertiary and quaternary alkaloids from Chelidonium majus L.

Zanthoxylum nitidum

1 reference

Rapid structural characterization of isomeric benzo[c]phenanthridine alkaloids from the roots of Zanthoxylum nitidium by liquid chromatography combined with electrospray ionization tandem mass spectrometry

Identifiers

InChI

InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1

1 reference

Homochelidonine (English)

MADYLZJCRKUBIK-RYGJVYDSSA-N

18 November 2016

InChIKey

2 references

Homochelidonine (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

476-33-5

2 references

Global Substance Registration System

UNII

ZP901RX893

homochelidonine (English)

MADYLZJCRKUBIK-RYGJVYDSSA-N

18 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=476-33-5

1 reference

(4bR,5S,11bS)-1,2-Dimethoxy-12-methyl-4b,5,6,11b,12,13-hexahydro[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol (English)

18 November 2016

1 reference

Homochelidonine (English)

18 November 2016

ChEBI ID

31025

mapping relation type

2 references

(+/-)-Homochelidonine (English)

matched by identifier from

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H23NO5/c1-22-9-14-12(4-5-16(24-2)21(14)25-3)19-15(23)6-11-7-17-18(27-10-26-17)8-13(11)20(19)22/h4-5,7-8,15,19-20,23H,6,9-10H2,1-3H3/t15-,19-,20+/m0/s1

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID80119700

0 references

EC number

207-505-7

1 reference

Global Substance Registration System

UNII

ZP901RX893

homochelidonine (English)

ECHA Substance Infocard ID

18 November 2016

100.006.824

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.824

27 December 2018

[4bR-(4bα,5β,11bα)]-4b,5,6,11b,12,13-hexahydro-1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol (English)

quotation

CAS no.: 476-33-5 (English)

1 reference

Global Substance Registration System

(+/-)-Homochelidonine (English)

6 October 2016

1 reference

UNII

ZP901RX893

homochelidonine (English)

18 November 2016

1 reference

(+/-)-Homochelidonine (English)