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Compound Summary

estrone

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			-2.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

estrone

Statistics Data

estrone

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-2.000000000000000		1	1

Statistics Data Visualization

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

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

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

estrone

53-16-7

folliculin

OESTRONE

Theelin

More...