(Q27137487)

CHEBI:69148 (English)

(1R)-1-[(1S,12S,13S,14R)-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaen-15-yl]ethanol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄N₂O₂

1 reference

CHEBI:69148 (English)

7 October 2016

canonical SMILES

CC(C1=CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)CO)O

1 reference

CHEBI:69148 (English)

7 October 2016

isomeric SMILES

C[C@@H](C1=CN2[C@H]3C[C@H]1[C@H]([C@@H]2CC4=C3N(C5=CC=CC=C45)C)CO)O

1 reference

CHEBI:69148 (English)

7 October 2016

found in taxon

Alstonia angustifolia

2 references

Alkaloids from Alstonia angustifolia

Oxidized derivatives of macroline, sarpagine, and pleiocarpamine alkaloids from Alstonia angustifolia

Alstonia macrophylla

3 references

Indole alkaloids from Alstonia macrophylla

Chemical Constituents of Alstonia macrophylla

Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla

Identifiers

InChI

InChI=1S/C20H24N2O2/c1-11(24)15-9-22-18-8-14-12-5-3-4-6-17(12)21(2)20(14)19(22)7-13(15)16(18)10-23/h3-6,9,11,13,16,18-19,23-24H,7-8,10H2,1-2H3/t11-,13+,16+,18-,19-/m0/s1

1 reference

CHEBI:69148 (English)

LWSDVTSJDOUAFK-MHAZOHMYSA-N

7 October 2016

InChIKey

2 references

CHEBI:69148 (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

(15alpha,19S)-1-Methyl-8,21-didehydro-8,19-dihydrosarpagan-17,19-diol (English)

7 October 2016

2 references

CHEBI:69148 (English)

matched by identifier from

7 October 2016

InChIKey

LWSDVTSJDOUAFK-MHAZOHMYSA-N

ChEBI ID

69148

mapping relation type

2 references

alstoumerine (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H24N2O2/c1-11(24)15-9-22-18-8-14-12-5-3-4-6-17(12)21(2)20(14)19(22)7-13(15)16(18)10-23/h3-6,9,11,13,16,18-19,23-24H,7-8,10H2,1-2H3/t11-,13+,16+,18-,19-/m0/s1

1 reference