CHEBI:76237 - (20R)-protopanaxadiol

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ChEBI Name (20R)-protopanaxadiol
ChEBI ID CHEBI:76237
ChEBI ASCII Name (20R)-protopanaxadiol
Definition A diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the pro-R position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H52O3
Net Charge 0
Average Mass 460.73210
Monoisotopic Mass 460.392
InChI InChI=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
InChIKey PYXFVCFISTUSOO-VUFVRDRTSA-N
SMILES CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via protopanaxadiol )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
(via protopanaxadiol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (20R)-protopanaxadiol (CHEBI:76237) is a protopanaxadiol (CHEBI:76238)
IUPAC Name
(3β,12β,20R)-dammar-24-ene-3,12,20-triol
Synonyms Sources
24-dammarene-3β,12β,20R-triol LIPID MAPS
dammar-24-ene-3β,12β,20R-triol LIPID MAPS
protopanaxadiol ChEBI
Manual Xrefs Databases
LMPR0106080003 LIPID MAPS
US2003190378 Patent
WO2006001654 Patent
View more database links
Registry Numbers Types Sources
3086790 Reaxys Registry Number Reaxys
7755-01-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23281928 PubMed citation Europe PMC
23391424 PubMed citation Europe PMC
Last Modified
12 November 2013