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klugine

Go to external page http://purl.obolibrary.org/obo/CHEBI_66147

An isoquinoline alkaloid that is emetan substituted by methoxy groups at positions 7' and 11 and hydroxy groups at positions 1', 6' and 10'. Isolated from Psychotria klugii, it exhibits antileishmanial and antiplasmodial activities.

Term info

Label

klugine

Synonyms
  • 7',11-dimethoxyemetan-1',6',10-triol
database cross reference
Subsets

3_STAR

IUPAC NAME
7',11-dimethoxyemetan-1',6',10-triol [ IUPAC ]

charge

0

formula

C27H36N2O5

has obo namespace

chebi_ontology

id

CHEBI:66147

inchi

InChI=1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3/t16-,19+,22-,27-/m0/s1

inchikey

IIFHKWNCTVOSKL-OKGGWNPJSA-N

mass

468.58510

monoisotopicmass

468.26242

smiles

[H][C@@]12C[C@H](C[C@@]3(O)NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(O)c(OC)cc21