Hernandezine (Q15410998)

Hernandezine (English)

(1R,14S)-9,19,20,21,25-pentamethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18(33),19,21,24,26,31-dodecaene

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₉H₄₄N₂O₇

1 reference

Hernandezine (English)

5 October 2016

canonical SMILES

CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC

1 reference

Hernandezine (English)

5 October 2016

isomeric SMILES

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)OC)OC)OC

1 reference

Hernandezine (English)

5 October 2016

found in taxon

Thalictrum hernandezii

1 reference

Chemosystematics of Thalictrum minus Complex

Thalictrum fendleri

1 reference

Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968

Thalictrum alpinum

1 reference

Alkaloids of Thalictrum. XXXIII. Isolation and Characterization of Alkaloids From the Root of Thalictrum alpinum

Thalictrum simplex

1 reference

The alkaloids ofThalictrum simplex. The structure of thalictricine

Cocculus pendulus

1 reference

Alkaloids of Cocculus pendulus

Thalictrum delavayi

3 references

Alkaloids of Thalictrum. X. Two new alkaloids from T. minus var. adiantifolium: noroxyhydrastinine and thalifoline

Isoquinoline alkaloids from Thalictrum delavayi

Isoquinoline alkaloids from Thalictrum delavayi

Thalictrum foetidum

1 reference

Alkaloids of Thalictrum foetidum

Thalictrum lankesteri

1 reference

Alkaloids of Thalictrum lankesteri

Thalictrum podocarpum

1 reference

Alkaloids of Thalictrum. XXXIII. Isolation and Characterization of Alkaloids From the Root of Thalictrum alpinum

Thalictrum sultanabadense

3 references

alkaloids of Thalictrum sultanabadense

Bisbenzylisoquinoline alkaloids ofThalictrum sultanabadense

Alkaloids of Anatolian Thalictrum sultanabadense

Thalictrum glandulosissimum

1 reference

Alkaloids of Thalictrum glandulosissimum

Thalictrum flavum

1 reference

Alkaloids of the roots ofThalictrum flavum

Identifiers

InChI

InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

1 reference

Hernandezine (English)

5 October 2016

2 references

Hernandezine (English)

5 October 2016

ChEBI release 2020-09-01

2 references

Hernandezine (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=6681-13-6

9 April 2021

1 reference

(1beta)-5,6,6',7,12-Pentamethoxy-2,2'-dimethylberbaman (English)

5 October 2016

2 references

Hernandezine (English)

5 October 2016

ChEBI ID

5677

mapping relation type

2 references

Hernandezine (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

1 reference

MSBNK-RIKEN_NPDepo-CB000109

HERNANDEZINE (English)

5 October 2016

1 reference

MassBank accession ID

1 reference

MassBank/MassBank-data: release version 2022.06 to wikidata

4 September 2022

2 references

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

DSSTOX compound identifier

0 references

1 reference

Hernandezine (English)

5 October 2016

UNII

HPH24MXX7G

1 reference

0 references

1 reference

Hernandezine (English)