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CHEBI:76237 - (20R)-protopanaxadiol

ChEBI IDCHEBI:76237
ChEBI Name(20R)-protopanaxadiol
Stars
ASCII Name(20R)-protopanaxadiol
DefinitionA diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the pro-R position.
Last Modified5 November 2019
SubmitterSteve
DownloadsMolfile
FormulaC30H52O3
Net Charge0
Average Mass460.743
Monoisotopic Mass460.39165
SMILES[H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(O)CCC=C(C)C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30+/m0/s1
InChIKeyPYXFVCFISTUSOO-VUFVRDRTSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
(20R)-protopanaxadiol (CHEBI:76237) is a protopanaxadiol (CHEBI:76238)
IUPAC Name 
(3β,12β,20R)-dammar-24-ene-3,12,20-triol
Synonyms  Source
protopanaxadiolChEBI
dammar-24-ene-3β,12β,20R-triolLIPID MAPS
24-dammarene-3β,12β,20R-triolLIPID MAPS
Manual XrefsDatabases
US2003190378Patent
WO2006001654Patent
LMPR0106080003LIPID MAPS
Registry NumbersSources
Reaxys:3086790Reaxys
CAS:7755-01-3ChemIDplus
Citations