Terminology Service for NFDI4Health
JSON

samaderine B

Go to external page http://purl.obolibrary.org/obo/CHEBI_66159

A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits antimalarial and cytotoxic activities.

Term info

Label

samaderine B

Synonyms
  • (1R,2S,5R,5aR,7aS,11S,11aS,11bR,14S)-1,11-dihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,6,10(5H)-trione
database cross reference
Subsets

3_STAR

IUPAC NAME
(1R,2S,5R,5aR,7aS,11S,11aS,11bR,14S)-1,11-dihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,6,10(5H)-trione [ IUPAC ]

charge

0

formula

C19H22O7

has obo namespace

chebi_ontology

id

CHEBI:66159

inchi

InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1

inchikey

CVLVYBSPYHCGGU-VQXUUFQGSA-N

mass

362.37380

monoisotopicmass

362.13655

smiles

[H][C@@]12OC(=O)[C@@]3([H])[C@]1(C)OC[C@]31C(=O)C[C@@]3([H])C(C)=CC(=O)[C@@H](O)[C@]3(C)[C@@]1([H])[C@H]2O