Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:67599 - 20(29)-lupene-1β,3β-diol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
20(29)-lupene-1β,3β-diol
ChEBI ID
CHEBI:67599
ChEBI ASCII Name
20(29)-lupene-1beta,3beta-diol
Definition
A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 1 and 3 respectively (the 1β,3β-stereoisomer). It has been isolated from
Breynia fruticosa
.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H50O2
Net Charge
0
Average Mass
442.71680
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/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-
25,31-
32H,1,9-
17H2,2-
8H3/t19-
,20+,21-
,22-
,23-
,24+,25+,27+,28+,29+,30-
/m0/s1
InChIKey
SWEUJTWPRYKNNX-AXLUDCLJSA-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)
C[C@H]
(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
20(29)-lupene-1β,3β-diol (
CHEBI:67599
)
has parent hydride
lupane (
CHEBI:36485
)
20(29)-lupene-1β,3β-diol (
CHEBI:67599
)
has role
plant metabolite (
CHEBI:76924
)
20(29)-lupene-1β,3β-diol (
CHEBI:67599
)
is a
diol (
CHEBI:23824
)
20(29)-lupene-1β,3β-diol (
CHEBI:67599
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
lup-20(29)-ene-1β,3β-diol
Synonym
Source
3-
epi
-glochidiol
ChEBI
Registry Number
Type
Source
6575512
Reaxys Registry Number
Reaxys
Citation
Type
Source
21428418
PubMed citation
Europe PMC
Last Modified
01 June 2015