Compound Summary
Compound Information
estrone
Compound Name: | estrone |
Compound CID: | 5870 |
Synonyms: | estrone 53-16-7 folliculin OESTRONE Theelin More... |
Iupac Name: | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
InChI: | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 |
InChIKey: | DNXHEGUUPJUMQT-CBZIJGRNSA-N |
Canonical Smiles: | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O |
Isomeric Smiles: | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O |
Molecular Weight: | 270.4 |
Molecular Formula: | C18H22O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
estrone
Molecular Weight: | 270.4 |
Molecular Formula: | C18H22O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 0 |
Heavy Atom Count: | 20 |
Complexity: | 418 |
Synonyms
estrone
| estrone | estrone |
|---|---|
estrone |
53-16-7 |
folliculin |
OESTRONE |
Theelin |
estrovarin |
Estrugenone |
follicular hormone |
Kestrone |
Estron |
Follicunodis |
Aquacrine |
Disynformon |
Folliculine |
Glandubolin |
Hiestrone |
Hormestrin |
Oestroform |
Oestronum |
Oestroperos |
Thelykinin |
Femidyn |
Folipex |
Folisan |
Kolpon |
Menagen |
Unden |
Ketohydroxyestrin |
Estrone-A |
Ketohydroxyoestrin |
3-Hydroxyestra-1,3,5(10)-trien-17-one |
1,3,5(10)-Estratrien-3-ol-17-one |
Estrona Spanish |
Folliculine benzoate |
Ovex (tablets) |
Estronum INN-Latin |
estrol |
Estrona INN-Spanish |
Destrone |
Oestrin |
Endofolliculina |
Crinovaryl |
Cristallovar |
Crystogen |
Estrusol |
Folikrin |
Follestrine |
Follestrol |
Hormofollin |
Hormovarine |
Ketodestrin |
Menformon |
Mestronaq |
Ovifollin |
Perlatan |
Solliculin |
Thelestrin |
Thynestron |
Wynestron |
Tokokin |
(+)-Estrone |
Estra-1,3,5(10)-trien-17-one, 3-hydroxy- |
Ketohydroxy-Estratriene |
3-Hydroxy-17-keto-estra-1,3,5-triene |
Femestrone injection |
3-Hydroxyestra-1,3,5(10)-triene-17-one |
3-Hydroxy-oestra-1,3,5(10)-trien-17-one |
1,3,5(10)-Oestratrien-3-ol-17-one |
3-Hydroxy-17-keto-oestra-1,3,5-triene |
delta-1,3,5-Estratrien-3beta-ol-17-one |
Fem-O-Gen |
delta-1,3,5-estratrien-3-beta-ol-17-one |
delta-1,3,5-Oestratrien-3beta-ol-17-one |
delta-1,3,5-oestratrien-3-beta-ol-17-one |
3-Hydroxy-1,3,5(10)-estratrien-17-one |
UNII-2DI9HA706A |
E(sub 1) |
3-hydroxy-estra-1,3,5(10)-trien-17-one |
CHEMBL1405 |
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopentaaphenanthren-17-one |
MLS000028475 |
2DI9HA706A |
Estrogenic Substance |
CHEBI:17263 |
Estronum |
SMR000058338 |
DSSTox_CID_2367 |
DSSTox_RID_76560 |
DSSTox_GSID_22367 |
(13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopentaaphenanthren-17(14H)-one |
2,4,6,7-3H-E1 |
Estrone (E1) |
hydroxyestrones |
Unden (pharmaceutical) (VAN) |
(9beta,13alpha)-3-Hydroxyestra-1,3,5(10)-Trien-17-One |
Oestrone Steroidal oestrogens |
MFCD00003620 |
(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo8.7.0.0^{2,7}.0^{11,15}heptadeca-2(7),3,5-trien-14-one |
CCRIS 285 |
Estrone (TN) |
(+/-)-Oestrone |
HSDB 3324 |
NATURAL ESTROGENIC SUBSTANCE-ESTRONE |
(+/-)-Estrone |
Estrone DL-form MI |
NSC 9699 |
EINECS 200-164-5 |
Estrone, (+/-)- |
Estrone (JAN/USP/INN) |
Estrone USP:INN:BAN |
BRN 1915077 |
Aquest |
NSC-9699 |
WAY 164397 |
CAS-53-16-7 |
NCGC00015423-03 |
J3Z |
CMC_13458 |
Opera_ID_330 |
Estrone, >=99% |
Prestwick0_000914 |
Prestwick1_000914 |
Prestwick2_000914 |
Prestwick3_000914 |
Spectrum5_002047 |
E0026 |
bmse000549 |
E 9750 |
EC 200-164-5 |
Lopac0_000513 |
SCHEMBL21702 |
BSPBio_000788 |
19973-76-3 |
3-08-00-01171 (Beilstein Handbook Reference) |
MLS001077340 |
MLS002695951 |
MLS006011890 |
BIDD:ER0145 |
SPBio_002977 |
BPBio1_000868 |
GTPL2818 |
MEGxm0_000444 |
SGCUT00128 |
DTXSID4022367 |
Estrone 1.0 mg/ml in Methanol |
ACon0_000083 |
ACon1_000122 |
BDBM17289 |
2,4,6,7-3H-Estrone |
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-, (+/-)- |
HMS1570H10 |
HMS2090E22 |
HMS2097H10 |
HMS2232O15 |
HMS3261H07 |
HMS3714H10 |
ACT02603 |
BCP13336 |
HY-B0234 |
to_000049 |
Tox21_113567 |
Tox21_201375 |
Tox21_303651 |
Tox21_500513 |
BBL033470 |
BL-090 |
LMST02010004 |
s1665 |
STK801833 |
ZINC13509425 |
AKOS005622512 |
AKOS007930641 |
Tox21_113567_1 |
AC-1395 |
ACN-032012 |
CCG-204604 |
DB00655 |
DS-6316 |
EBD2157889 |
Estrone 100 microg/mL in Acetonitrile |
LP00513 |
SDCCGSBI-0050497.P002 |
SMP1_000123 |
NCGC00023643-03 |
NCGC00023643-04 |
NCGC00023643-05 |
NCGC00023643-06 |
NCGC00023643-07 |
NCGC00023643-08 |
NCGC00023643-09 |
NCGC00023643-10 |
NCGC00023643-11 |
NCGC00023643-12 |
NCGC00023643-13 |
NCGC00023643-15 |
NCGC00023643-16 |
NCGC00023643-22 |
NCGC00179433-01 |
NCGC00179433-02 |
NCGC00179433-03 |
NCGC00257402-01 |
NCGC00258926-01 |
NCGC00261198-01 |
(8R,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-cyclopentaaphenanthren-17-one |
Estrone, meets USP testing specifications |
D1,3,5(10)-Estratrien-3-ol-17-one |
3-hydroxyl-1,3,5(10)-estratien-17-one |
3-Hydroxyoestra-1,3,5(10)-trien-17-one |
AB00382990 |
Estrone, VETRANAL(TM), analytical standard |
EU-0100513 |
3-hydroxy-estra-1,3,5(10)-triene-17-one |
C00468 |
D00067 |
AB00382990-16 |
AB00382990-17 |
AB00382990_18 |
estra-1(10),2,4-trien-17-one, 3-hydroxy- |
003E620 |
Q414986 |
SR-01000000085 |
SR-01000075867 |
Q-201073 |
SR-01000000085-3 |
SR-01000075867-1 |
BRD-K81839095-001-04-6 |
BRD-K81839095-001-30-1 |
86C77018-146D-4603-ACEA-CA0D8C4F1E2C |
Estrone, European Pharmacopoeia (EP) Reference Standard |
Z1695906713 |
UNII-X9XKA379T9 component DNXHEGUUPJUMQT-CBZIJGRNSA-N |
Estrone, United States Pharmacopeia (USP) Reference Standard |
Estrone, Pharmaceutical Secondary Standard; Certified Reference Material |
Estrone solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material |
(1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo8.7.0.0;{2,7}.0;{11,15}heptadeca-2,4,6-trien-14-one |
(8R,13S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopentaaphenanthren-17-one |
Experimental Data
estrone
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | -2 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
estrone
Statistics Data
estrone
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2 | 1 | 1 |
Statistics Data Visualization
estrone
