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ChEBI
> Main
CHEBI:132345 - canophyllal
Main
ChEBI Ontology
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ChEBI Name
canophyllal
ChEBI ID
CHEBI:132345
Definition
A pentacyclic triterpenoid with formula C
30
H
48
O
2
, originally isolated from the leaves of
Syzygium formosanum
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C30H48O2
Net Charge
0
Average Mass
440.702
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
20-
21(32)
8-
9-
22-
26(20,4)
11-
10-
23-
27(22,5)
13-
14-
29(7)
24-
18-
25(2,3)
12-
16-
30(24,19-
31)
17-
15-
28(23,29)
6/h19-
20,22-
24H,8-
18H2,1-
7H3/t20-
,22+,23-
,24-
,26+,27-
,28+,29-
,30+/m0/s1
InChIKey
ONRNCDHSZVITNY-TWWFCBCGSA-N
SMILES
[C@]
12([C@]
([C@]
3([C@@]
(CC1)
(CCC(C3)
(C)
C)
C(=O)
[H]
)
[H]
)
(CC[C@@]
4([C@@]
2(CC[C@]
5([C@]
4(CCC([C@@H]
5C)
=O)
[H]
)
C)
[H]
)
C)
C)
C
Metabolite of Species
Details
Calophyllum inophyllum
(NCBI:txid158927)
Found in stem
(BTO:0001300)
. See:
PubMed
Syzygium formosanum.
(NCBI:txid1609897)
See:
PubMed
Tripterygium hypoglaucum
(NCBI:txid205465)
Found in root
(BTO:0001188)
. See:
PubMed
Endodesmia calophylloides
(NCBI:txid279256)
Found in stem
(BTO:0001300)
. See:
PubMed
Alchornea cordifolia
(NCBI:txid316697)
Found in root
(BTO:0001188)
. See:
PubMed
Alchornea cordifolia
(NCBI:txid316697)
Found in stem
(BTO:0001300)
. See:
PubMed
Tripterygium wilfordii
(NCBI:txid458696)
Found in root
(BTO:0001188)
. 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.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
canophyllal (
CHEBI:132345
)
has parent hydride
friedelane (
CHEBI:71575
)
canophyllal (
CHEBI:132345
)
has role
antibacterial agent (
CHEBI:33282
)
canophyllal (
CHEBI:132345
)
has role
plant metabolite (
CHEBI:76924
)
canophyllal (
CHEBI:132345
)
is a
aliphatic aldehyde (
CHEBI:59768
)
canophyllal (
CHEBI:132345
)
is a
cyclic terpene ketone (
CHEBI:36130
)
canophyllal (
CHEBI:132345
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
IUPAC Name
(4a
S
,6aR,6b
S
,8a
S
,9
R
,12a
S
,12b
S
,14a
S
,14b
S
)-
2,2,6a,8a,9,12b,14a-
heptamethyl-
10-
oxoicosahydropicene-
4a(2
H
)-
carbaldehyde
Synonyms
Sources
3-oxofriedelan-28-al
ChEBI
friedelane-3-one-28-al
ChEBI
Registry Number
Type
Source
3110516
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10075776
PubMed citation
Europe PMC
11849847
PubMed citation
Europe PMC
16864458
PubMed citation
Europe PMC
17487607
PubMed citation
Europe PMC
18310952
PubMed citation
Europe PMC
20188156
PubMed citation
Europe PMC
22256754
PubMed citation
Europe PMC
26724423
PubMed citation
Europe PMC
Last Modified
24 October 2016