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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135356 - calusterone
Main
ChEBI Ontology
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ChEBI Name
calusterone
ChEBI ID
CHEBI:135356
Stars
This entity has been manually annotated by a third party.
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Formula
C21H32O2
Net Charge
0
Average Mass
316.478
Monoisotopic Mass
316.24023
InChI
InChI=1S/C21H32O2/c1-
13-
11-
14-
12-
15(22)
5-
8-
19(14,2)
16-
6-
9-
20(3)
17(18(13)
16)
7-
10-
21(20,4)
23/h12-
13,16-
18,23H,5-
11H2,1-
4H3/t13-
,16-
,17-
,18+,19-
,20-
,21-
/m0/s1
InChIKey
IVFYLRMMHVYGJH-PVPPCFLZSA-N
SMILES
C[C@@H]1[C@@]2([C@@]([C@@]3(C(C1)=CC(CC3)=O)C)(CC[C@]4([C@]2(CC[C@]4(C)O)[H])C)[H])[H]
Roles Classification
Biological Role
(s):
androgen
A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
calusterone (
CHEBI:135356
)
has role
androgen (
CHEBI:50113
)
calusterone (
CHEBI:135356
)
is a
3-hydroxy steroid (
CHEBI:36834
)
Synonym
Source
methosarb
DrugCentral
Manual Xrefs
Databases
468
DrugCentral
HMDB0004627
HMDB
View more database links
Registry Number
Type
Source
17021-26-0
CAS Registry Number
DrugCentral
Last Modified
23 February 2017