Chelist Moleculee
JRC CODE:JRC-000163
cas:63-05-8
einecs:200-554-5
smiles:[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
name:Androst-4-Ene-3,17-Dione
MW:286.4085
formula:C19H26O2
InChi:
InChiKey:
SMARTS:
Other names
Androst-4-ene-3,17-dione
17-Ketotestosterone
3,17-Dioxoandrost-4-ene
4-Androstene-3,17-dione
Androstenedione
Fecundin
NSC 9563
SKF 2170
Δ 4-Androstene-3,17-dione
Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

NICEATM ED (78): Reference chemicals used in NICEATM BG1Luc Estrogen Receptor Transactivation Assay validation study (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
FP6 ReProTect (133): Test chemicals used for the development of in vitro tests within the FP6 project .ReProTect (EU Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)