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:66838 - 7-oxo-10α-cucurbitadienol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
7-oxo-10α-cucurbitadienol
ChEBI ID
CHEBI:66838
ChEBI ASCII Name
7-oxo-10alpha-cucurbitadienol
Definition
A tetracyclic triterpenoid that is the 7-oxo derivative of cucurbitadienol. Isolated from
Trichosanthes kirilowii
, it exhibits anti-inflammatory activity.
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
C30H48O2
Net Charge
0
Average Mass
440.70090
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
19(2)
10-
9-
11-
20(3)
21-
14-
15-
30(8)
26-
24(31)
18-
23-
22(12-
13-
25(32)
27(23,4)
5)
28(26,6)
16-
17-
29(21,30)
7/h10,18,20-
22,25-
26,32H,9,11-
17H2,1-
8H3/t20-
,21-
,22-
,25+,26-
,28+,29-
,30+/m1/s1
InChIKey
WPHOBDITIAIXKJ-MVAYMFADSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2(C)
[C@]
3([H]
)
C(=O)
C=C4[C@@]
([H]
)
(CC[C@H]
(O)
C4(C)
C)
[C@]
3(C)
CC[C@]
12C)
[C@H]
(C)
CCC=C(C)
C
Metabolite of Species
Details
Trichosanthes kirilowii
(NCBI:txid3677)
Found in seed
(BTO:0001226)
. See:
DOI
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.
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
has functional parent
cucurbitadienol (
CHEBI:62456
)
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
has parent hydride
cucurbitane (
CHEBI:73245
)
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
has role
anti-inflammatory agent (
CHEBI:67079
)
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
has role
metabolite (
CHEBI:25212
)
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
is a
cyclic terpene ketone (
CHEBI:36130
)
7-oxo-10α-cucurbitadienol (
CHEBI:66838
)
is a
tetracyclic triterpenoid (
CHEBI:26893
)
IUPAC Name
(1
S
,4
S
,9β)-
1-
hydroxy-
9,10,14-
trimethyl-
4,9-
cyclo-
9,10-
secocholesta-
5,24-
dien-
7-
one
Synonym
Source
7-oxo-10aα-cucurbita-5,24-dien-3β-ol
ChEBI
Registry Number
Type
Source
6824760
Reaxys Registry Number
Reaxys
Last Modified
19 April 2013
General Comment
2013-04-19
Phytochemistry
(1994), 36(1), 153-158.