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CHEBI:138973 - 11-oxocucurbitadienol
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ChEBI Name
11-oxocucurbitadienol
ChEBI ID
CHEBI:138973
Definition
A tetracyclic triterpenoid that is cucurbitadienol in which the methylene hydrogens at position 11 have been replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C30H48O2
Net Charge
0
Average Mass
440.702
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
19(2)
10-
9-
11-
20(3)
21-
16-
17-
28(6)
24-
14-
12-
22-
23(13-
15-
25(31)
27(22,4)
5)
30(24,8)
26(32)
18-
29(21,28)
7/h10,12,20-
21,23-
25,31H,9,11,13-
18H2,1-
8H3/t20-
,21-
,23-
,24+,25+,28+,29-
,30+/m1/s1
InChIKey
GBFPAYOKITZRAZ-XALYZVBKSA-N
SMILES
[C@@]
12(C)
[C@]
3([C@]
([C@@]
4(CC[C@@H]
(C(C4=CC3)
(C)
C)
O)
[H]
)
(C(C[C@]
2(C)
[C@]
(CC1)
([C@@H]
(CCC=C(C)
C)
C)
[H]
)
=O)
C)
[H]
Metabolite of Species
Details
Siraitia grosvenorii
(NCBI:txid190515)
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
11-oxocucurbitadienol (
CHEBI:138973
)
has functional parent
cucurbitadienol (
CHEBI:62456
)
11-oxocucurbitadienol (
CHEBI:138973
)
has parent hydride
cucurbitane (
CHEBI:73245
)
11-oxocucurbitadienol (
CHEBI:138973
)
has role
plant metabolite (
CHEBI:76924
)
11-oxocucurbitadienol (
CHEBI:138973
)
is a
cyclic terpene ketone (
CHEBI:36130
)
11-oxocucurbitadienol (
CHEBI:138973
)
is a
secondary alcohol (
CHEBI:35681
)
11-oxocucurbitadienol (
CHEBI:138973
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(1
S
,4
R
)-
1-
hydroxy-
99β,10,14-
trimethyl-
4,9-
cyclo-
9,10-
secocholesta-
5,24-
dien-
11-
one
Synonyms
Sources
(1
S
,4
R
,9β)-
1-
hydroxy-
9,10,14-
trimethyl-
4,9-
cyclo-
9,10-
secocholesta-
5,24-
dien-
11-
one
IUPAC
11-oxocucurbitadienol
UniProt
3β-hydroxy-10α-cucurbit-5,24-dien-11-one
ChEBI
Manual Xref
Database
CPD-20418
MetaCyc
View more database links
Registry Number
Type
Source
6745644
Reaxys Registry Number
Reaxys
Citation
Type
Source
26903528
PubMed citation
SUBMITTER
Last Modified
17 January 2018