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:49320 - algestone acetonide
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
algestone acetonide
ChEBI ID
CHEBI:49320
Definition
A cyclic ketal that is the 16α,17α-acetonide derivative of algestone.
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
C24H34O4
Net Charge
0
Average Mass
386.52436
Monoisotopic Mass
386.24571
InChI
InChI=1S/C24H34O4/c1-
14(25)
24-
20(27-
21(2,3)
28-
24)
13-
19-
17-
7-
6-
15-
12-
16(26)
8-
10-
22(15,4)
18(17)
9-
11-
23(19,24)
5/h12,17-
20H,6-
11,13H2,1-
5H3/t17-
,18+,19+,20-
,22+,23+,24-
/m1/s1
InChIKey
LSWBQIAZNGURQV-WTBIUSKOSA-N
SMILES
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@H]2OC(C)(C)O[C@@]12C(C)=O
Roles Classification
Application
(s):
anti-inflammatory drug
A substance that reduces or suppresses inflammation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
algestone acetonide (
CHEBI:49320
)
has functional parent
algestone (
CHEBI:763
)
algestone acetonide (
CHEBI:49320
)
has role
anti-inflammatory drug (
CHEBI:35472
)
algestone acetonide (
CHEBI:49320
)
is a
20-oxo steroid (
CHEBI:36885
)
algestone acetonide (
CHEBI:49320
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
algestone acetonide (
CHEBI:49320
)
is a
cyclic ketal (
CHEBI:59779
)
IUPAC Name
16α,17-(propane-2,2-diyldioxy)pregn-4-ene-3,20-dione
Synonyms
Sources
16alpha,17-(Isopropylidenedioxy)progesterone
ChemIDplus
16alpha,17alpha-Isopropylidenedioxyprogesterone
ChemIDplus
Alphasone acetonide
ChemIDplus
Manual Xref
Database
D02808
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
4968-09-6
CAS Registry Number
ChemIDplus
50827
Beilstein Registry Number
Beilstein
Last Modified
19 July 2011