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CHEBI:67597 - glochidonol
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ChEBI Name
glochidonol
ChEBI ID
CHEBI:67597
Definition
A pentacyclic triterpenoid that is lup-20(29)-ene substituted by a β-hydroxy group at position 1 and an oxo group at position 3. It has been isolated from
Breynia fruticosa
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H48O2
Net Charge
0
Average Mass
440.70090
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
18(2)
19-
11-
13-
27(5)
15-
16-
28(6)
20(25(19)
27)
9-
10-
22-
29(28,7)
14-
12-
21-
26(3,4)
23(31)
17-
24(32)
30(21,22)
8/h19-
22,24-
25,32H,1,9-
17H2,2-
8H3/t19-
,20+,21-
,22-
,24+,25+,27+,28+,29+,30-
/m0/s1
InChIKey
POKGESLRCWHPFR-GEWRCSBCSA-N
SMILES
CC(=C)
[C@@H]
1CC[C@]
2(C)
CC[C@]
3(C)
[C@H]
(CC[C@@H]
4[C@@]
5(C)
[C@H]
(O)
CC(=O)
C(C)
(C)
[C@@H]
5CC[C@@]
34C)
[C@@H]
12
Metabolite of Species
Details
Breynia fruticosa
(NCBI:txid296042)
Found in root
(BTO:0001188)
. 90% Methanolic extract of air-dried, crushed roots. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glochidonol (
CHEBI:67597
)
has parent hydride
lupane (
CHEBI:36485
)
glochidonol (
CHEBI:67597
)
has role
plant metabolite (
CHEBI:76924
)
glochidonol (
CHEBI:67597
)
is a
cyclic terpene ketone (
CHEBI:36130
)
glochidonol (
CHEBI:67597
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
glochidonol (
CHEBI:67597
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
1β-hydroxylup-20(29)-en-3-one
Registry Number
Type
Source
6536282
Reaxys Registry Number
Reaxys
Citation
Type
Source
21428418
PubMed citation
Europe PMC
Last Modified
01 June 2015