CHEBI:75950 - (20S)-protopanaxadiol

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ChEBI Name (20S)-protopanaxadiol
ChEBI ID CHEBI:75950
ChEBI ASCII Name (20S)-protopanaxadiol
Definition A diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the pro-S position.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
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Formula C30H52O3
Net Charge 0
Average Mass 460.73210
Monoisotopic Mass 460.39165
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-HKUCOEKDSA-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 (20S)-protopanaxadiol (CHEBI:75950) is a protopanaxadiol (CHEBI:76238)
Incoming (20S)-ginsenoside Rg3 (CHEBI:67991) has functional parent (20S)-protopanaxadiol (CHEBI:75950)
ginsenoside Mc (CHEBI:77491) has functional parent (20S)-protopanaxadiol (CHEBI:75950)
ginsenoside Mx (CHEBI:77490) has functional parent (20S)-protopanaxadiol (CHEBI:75950)
IUPAC Name
(3β,12β)-dammar-24-ene-3,12,20-triol
Synonyms Sources
(20S)-protopanaxadiol UniProt
20(S)-APPD ChemIDplus
20-Epiprotopanaxadiol ChemIDplus
24-dammarene-3β,12β,20S-triol LIPID MAPS
dammar-24-ene-3β,12β,20-triol SUBMITTER
dammar-24-ene-3β,12β,20S-triol LIPID MAPS
Manual Xrefs Databases
CPD-15449 MetaCyc
LMPR0106080004 LIPID MAPS
Protopanaxadiol Wikipedia
US2010234624 Patent
WO2006001654 Patent
View more database links
Registry Numbers Types Sources
30636-90-9 CAS Registry Number ChemIDplus
3086791 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22039120 PubMed citation SUBMITTER
23006538 PubMed citation Europe PMC
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Last Modified
05 November 2019