(Q14035668)

Solanocapsine (English)

(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20R,22S,24S)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol

5 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Naphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridin-11a(1H)-ol,2-aminodocosahydro-4a,6a,7,10-tetramethyl-,(2S,4aS,4bS,6aS,6bR,7S,7aR,10R,11aS,12aR,13aS,13bR,15aS)-

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₆N₂O₂

1 reference

Solanocapsine (English)

20 November 2016

canonical SMILES

CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)NC1)O

1 reference

Solanocapsine (English)

20 November 2016

isomeric SMILES

C[C@@H]1C[C@]2([C@@H]([C@H]([C@H]3[C@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)N)C)C)C)NC1)O

1 reference

Solanocapsine (English)

imported from Wikimedia project

20 November 2016

found in taxon

Solanum pseudocapsicum

5 references

English Wikipedia

7β-Hydroxy-O-methylsolanocapsine, a new 3-amino steroidal alkaloid from Solanum capsicastrum

Studies on Indian medicinal plants. Part 77. Structure and stereochemistry of some new steroidal alkaloids from Solanum pseudocapsicum and Solanum giganteum by nuclear magnetic resonance spectroscopy

337. Alkaloids from solanum pseudocapsicum, L

Studies on Indian medicinal plants. Part 77. Structure and stereochemistry of some new steroidal alkaloids from Solanum pseudocapsicum and Solanum giganteum by nuclear magnetic resonance spectroscopy

Solanum glaucophyllum

1 reference

Steroidal Alkaloids and Sapogenins from Roots of SomeSolanumSpecies1

Identifiers

InChI

InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1

1 reference

Solanocapsine (English)

20 November 2016

2 references

Solanocapsine (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

639-86-1

2 references

Global Substance Registration System

UNII

WWQ51S32N8

solanocapsine (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=639-86-1

9 April 2021

1 reference

Solanocapsine (English)

20 November 2016

1 reference

Solanocapsine (English)

20 November 2016

ChEBI ID

9189

mapping relation type

2 references

CHEMBL2002365 (English)

matched by identifier from

20 November 2016

International Chemical Identifier

InChI

InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1

1 reference

matched by identifier from

CHEMBL2002365 (English)

20 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

Solanocapsine (English)

5 October 2016

2 references

UNII

WWQ51S32N8

solanocapsine (English)

matched by identifier from

20 November 2016

1 reference

Solanocapsine (English)