Compound Summary
Compound Information
17alpha-Estradiol
Compound Name: | 17alpha-Estradiol |
Compound CID: | 68570 |
Synonyms: | 17alpha-Estradiol 57-91-0 alpha-Estradiol Alfatradiol Epiestradiol More... |
Iupac Name: | (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
InChI: | InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 |
InChIKey: | VOXZDWNPVJITMN-SFFUCWETSA-N |
Canonical Smiles: | CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O |
Isomeric Smiles: | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O |
Molecular Weight: | 272.4 |
Molecular Formula: | C18H24O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
17alpha-Estradiol
Molecular Weight: | 272.4 |
Molecular Formula: | C18H24O2 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 20 |
Complexity: | 382 |
Synonyms
17alpha-Estradiol
| 17alpha-Estradiol | 17alpha-Estradiol |
|---|---|
17alpha-Estradiol |
57-91-0 |
alpha-Estradiol |
Alfatradiol |
Epiestradiol |
17-alpha-Estradiol |
Epiestrol |
3,17-Dihydroxyestratriene |
17a-estradiol |
Estradiol-17alpha |
17-Epiestradiol |
Estra-1,3,5(10)-triene-3,17alpha-diol |
(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol |
17alpha estradiol |
NSC 20293 |
Alfatradiol INN |
UNII-3VQ38D63M7 |
17.alpha.-Estradiol |
17.alpha.-Oestradiol |
Oestradiol-17.alpha. |
Estradiol, 17.alpha.- |
CHEBI:17160 |
3VQ38D63M7 |
17-epi-Estradiol |
C18H24O2 |
(17alpha)-estra-1,3,5(10)-triene-3,17-diol |
Alfatradiol (INN) |
Estra-1,3,5(10)-triene-3,17-diol, (17a)- |
(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol |
Epiestradial |
DSSTox_CID_2377 |
DSSTox_RID_76564 |
DSSTox_GSID_22377 |
a-Estradiol |
CAS-57-91-0 |
(1S,10R,11S,14R,15S)-15-methyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-2(7),3,5-triene-5,14-diol |
Oestradiol-17alpha |
Oestradiol-17-alpha |
3,3,5(10)-triene |
CCRIS 7203 |
NSC-20293 |
17a-Oestradiol |
1,3,5-Estratriene-3,17.alpha.-diol |
I+/--Astradiol |
17 alpha-estradiol |
EINECS 200-354-8 |
1,3,5-Estratriene-3,17-alpha-diol |
Estradiol, 17alpha- |
BRN 2698044 |
Estra-1,3,5(10)-triene-3,17.alpha.-diol |
Oestra-1,3,5(10)-triene-3,17.alpha.-diol |
3,17.alpha.-Dihydroxyestra-1,3,5(10)-triene |
alpha-Estradiol, 98% |
Estra-1,3,5(10)-triene-3,17a-diol |
(17?)-Estra-1,3,5(10)-triene-3,17-diol |
3,17.alpha.-Dihydroxyoestra-1,3,5(10)-triene |
Oestra-1,3,5(10)-triene-3,17alpha-diol |
UPCMLD-DP131 |
3,17alpha-Dihydroxyestra-1,3,5(10)-triene |
3,17alpha-Dihydroxyoestra-1,3,5(10)-triene |
3,17-alpha-Dihydroxyoestra-1,3,5(10)-triene |
Ethinyl Estradiol Impurity L |
KBioGR_002281 |
KBioSS_002282 |
4-06-00-06611 (Beilstein Handbook Reference) |
BIDD:ER0163 |
SCHEMBL121568 |
CHEMBL286452 |
DTXSID8022377 |
UPCMLD-DP131:001 |
BDBM20624 |
HY-B0141A |
KBio2_002281 |
KBio2_004849 |
KBio2_007417 |
KBio3_002761 |
MITO-4509 |
ABP-150 |
cMAP_000011 |
1,3,5-Estratriene-3,17a-diol |
NSC20293 |
ZINC3815415 |
Tox21_201262 |
Tox21_303644 |
LMST02010029 |
MFCD00064144 |
s5910 |
1,5-Estratriene-3,17.alpha.-diol |
AKOS024457306 |
AC-2168 |
GS-5672 |
MX-4509 |
NCGC00161666-01 |
NCGC00161666-02 |
NCGC00161666-03 |
NCGC00161666-04 |
NCGC00256569-01 |
NCGC00258814-01 |
alpha-Estradiol, powder, >=98% (TLC) |
Oestra-1,3,5(10)-triene-3,17a-diol |
3,17a-Dihydroxyestra-1,3,5(10)-triene |
3,17a-Dihydroxyoestra-1,3,5(10)-triene |
B7201 |
CS-0014231 |
E0919 |
Estra-1,5(10)-triene-3,17.alpha.-diol |
Oestra-1,5(10)-triene-3,17.alpha.-diol |
C02537 |
D07121 |
H10403 |
064E144 |
13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol |
17-alpha-Estradiol 100 microg/mL in Acetonitrile |
alpha-Estradiol, VETRANAL(TM), analytical standard |
Q4721888 |
WLN: L E5 B666TTT&J E1 FQ OQ 17-ALPHA |
13beta-methyl-1,3,5(10)-gonatrien-3,17alpha-diol |
Estra-1,5(10)-triene-3,17-diol, (17.alpha.)- |
Estra-1,3,5(10)-triene-3,17-diol, (17-alpha)- |
23E54080-77C2-4457-A388-FCBCE0B68C38 |
17alpha-Estradiol (17-epi-Estradiol; Estra-1,3,5(10)-triene-3,17alpha-diol) |
Estra-1,3,5(10)-triene-3,17alpha-diol (17alpha-Estradiol; 17-epi-Estradiol) |
Experimental Data
17alpha-Estradiol
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mus musculus | 4.8 | mg/kg | 925 | 949 | 3 | 1151 | 1187 | 0.03 | NS | UM | MALES | 24245565 | Inactive |
| Mus musculus | 4.8 | mg/kg | 918 | 867 | -6 | 1084 | 1107 | 0.02 | NS | TJL | FEMALES | 24245565 | Inactive |
| Mus musculus | 4.8 | mg/kg | 807 | 828 | 3 | 1061 | 1117 | 0.05 | NS | TJL | MALES | 24245565 | Inactive |
| Mus musculus | 14.4 | ppm | 874 | 883 | 1 | 1092 | 1091 | 0 | NS | C2011 | FEMALES | 27312235 | Inactive |
| Mus musculus | 4.8 | mg/kg | 864 | 903 | 5 | 1062 | 1079 | 0.02 | NS | UT | FEMALES | 24245565 | Inactive |
| Mus musculus | 14.4 | ppm | 780 | 925 | 19 | 1064 | 1193 | 12 | S | C2011 | MALES | 27312235 | Active |
| Mus musculus | 4.8 | mg/kg | 887 | 910 | 3 | 1089 | 1006 | -0.08 | NS | UM | FEMALES | 24245565 | Inactive |
| Mus musculus | 4.8 | mg/kg | 704 | 900 | 28 | 1013 | 1110 | 0.1 | S | UT | MALES | 24245565 | Active |
Experimental Data Visualization
17alpha-Estradiol
Statistics Data
17alpha-Estradiol
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Mus musculus | 28 | 12 | 2 | 8 |
Statistics Data Visualization
17alpha-Estradiol
