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ChEBI
> Main
CHEBI:76237 - (20
R
)-protopanaxadiol
Main
ChEBI Ontology
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ChEBI Name
(20
R
)-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.
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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-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
(20
R
)-protopanaxadiol (
CHEBI:76237
)
is a
protopanaxadiol (
CHEBI:76238
)
IUPAC Name
(3β,12β,20
R
)-dammar-24-ene-3,12,20-triol
Synonyms
Sources
24-dammarene-3β,12β,20
R
-triol
LIPID MAPS
dammar-24-ene-3β,12β,20
R
-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
Types
Sources
23281928
PubMed citation
Europe PMC
23391424
PubMed citation
Europe PMC
Last Modified
05 November 2019