Chelist Moleculee
JRC CODE:JRC-000192
cas:53-16-7
einecs:200-164-5
smiles:[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C=C3
name:Estrone
MW:270.3661
formula:C18H22O2
InChi:
InChiKey:
SMARTS:
Other names
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
Estrone (8CI)
(+)-Estrone
1,3,5(10)-Estratrien-3-ol-17-one
3-Hydroxy-17-keto-estra-1,3,5-triene
3-Hydroxyestra-1,3,5(10)-trien-17-one
3-Hydroxyestra-1,3,5(10)-triene-17-one
3-Hydroxyoestra-1,3,5(10)-trien-17-one
Aquacrine
Crinovaryl
Cristallovar
Crystogen
Destrone
Disynformon
Endofolliculina
Estron
Estrovarin
Estrugenone
Estrusol
Femestrone Inj.
Femestrone injection
Femidyn
Fermidyn
Folikrin
Folipex
Folisan
Follestrine
Follestrol
Follicular hormone
Folliculin
Folliculin (steroid)
Folliculinum
Follicunodis
Follidrin
Glandubolin
Hiestrone
Hormofollin
Hormovarine
Kestrone
Ketodestrin
Ketohydroxyestrin
Kolpon
Menagen
Menformon
NSC 9699
Oestrin
Oestroform
Oestrone
Oestroperos
Ovifollin
Perlatan
Solliculin
Theelin
Thelestrin
Thelykinin
Thynestron
Tokokin
Unden
WAY 164397
Wynestron
Δ�1,3,5(10)-Estratrien-3-ol-17-one
Δ �1,3,5(10)-Estratrien-3-ol-17-one

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)
REACH REG (14803): Reach Registrations (Regulatory)