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Compound Summary

2-Methoxyestradiol

Compound Information

2-Methoxyestradiol

Compound Name:	2-Methoxyestradiol
Compound CID:	66414
Synonyms:	2-Methoxyestradiol 362-07-2 Panzem 2-Methoxyestradiol-17beta 2-Hydroxyestradol 2-methyl ether More...
Iupac Name:	(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
InChI:	InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey:	CQOQDQWUFQDJMK-SSTWWWIQSA-N
Canonical Smiles:	CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O
Isomeric Smiles:	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O
Molecular Weight:	302.4
Molecular Formula:	C19H26O3

Compound Structure

2D Structure:

3D Structure:

Computed Properties

2-Methoxyestradiol

Molecular Weight:	302.4
Molecular Formula:	C19H26O3
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Heavy Atom Count:	22
Complexity:	425

Synonyms

2-Methoxyestradiol

2-Methoxyestradiol	2-Methoxyestradiol
2-Methoxyestradiol	362-07-2
Panzem	2-Methoxyestradiol-17beta
2-Hydroxyestradol 2-methyl ether	2-MeOE2
2-ME2	2ME2
Estradiol, 2-methoxy-	2-Hydroxyestradiol 2-methyl ether
2-methoxy-17beta-estradiol	2-Methoxyestradiol (2-MeOE2)
(17beta)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol	2-Methoxyestra-1,3,5(10)-triene-3,17beta-diol
UNII-6I2QW73SR5	2-Methoxy-estradiol
2-Methoxy-beta-estradiol	NSC-659853
MLS000028819	6I2QW73SR5
CHEMBL299613	CHEBI:28955
Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17beta)-	Panzem NCD
1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER	2-methoxy-estra-1,3,5(10)-triene-3,17beta-diol
MFCD00010489	Estra-1,3,5(10)-triene-3,17beta-diol, 2-methoxy-
(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol	SMR000058478
Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17b)-	(17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol
PulmoLAR	2-methoxyoestradiol
2-Methoxy-.beta.-estradiol	NSC 659853
CCRIS 9405	1lhw
Opera_ID_634	2-Methoxyestradiol, powder
M 6383	SCHEMBL8796
Lopac0_000739	(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol
MLS001076279	MLS006010142
1,3,5(10)-Estratriene-2,3,17-triol 2-methyl ether	DTXSID3040938
HMS2230L22	HMS3262C20
HMS3412H22	HMS3676H22
BCP02076	ZINC3818826
Tox21_500739	BDBM50060957
LMST02010035	s1233
AKOS015901723	2-Methoxyestradiol, analytical standard
ACN-051090	BCP9000109
CCG-204824	CS-0176
DB02342	LP00739
SDCCGSBI-0050717.P002	SMP2_000045
NCGC00094082-03	NCGC00094082-04
NCGC00094082-13	NCGC00261424-01
AC-32086	AS-19175
BP-25393	HY-12033
EU-0100739	M2530
X5011	C05302
C74863	AB00639611-09
AB00639611_10	SR-01000076000
2-methoxy-1,3,5 (10)-estratriene-3,17beta-diol	2-Methoxyestra-1,3,5(10)-triene-3,17-diol #
Q4596897	SR-01000076000-1
BRD-K44408410-001-20-0	(17?)-2-Methoxyestra-1(10),2,4-triene-3,17-diol
(17?)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol	17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol
Estra-1,3,5(10)-triene-3,17.beta.-diol, 2-methoxy-	estra-1(10),2,4-triene-3,17-diol, 2-methoxy-, (17beta)-
(14beta,17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol	B3C40B85-1733-48FE-8418-A39011910D19
Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17.beta.)-

Experimental Data

2-Methoxyestradiol

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			-7.000000000000000				NS	N2		24134630	Inactive

Experimental Data Visualization

2-Methoxyestradiol

Statistics Data

2-Methoxyestradiol

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	-7.000000000000000		1	1

Statistics Data Visualization

2-Methoxyestradiol

Compound Name:

2-Methoxyestradiol

Compound CID:

66414

Synonyms:

2-Methoxyestradiol 362-07-2 Panzem 2-Methoxyestradiol-17beta 2-Hydroxyestradol 2-methyl ether More...

Iupac Name:

(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

InChI:

InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1

InChIKey:

CQOQDQWUFQDJMK-SSTWWWIQSA-N

Canonical Smiles:

CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O

Isomeric Smiles:

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)OC)O

Molecular Weight:

302.4

Molecular Formula:

C19H26O3

Molecular Weight:

302.4

Molecular Formula:

C19H26O3

Hydrogen Bond Donor Count:

2

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

1

Heavy Atom Count:

22

Complexity:

425

2-Methoxyestradiol

362-07-2

Panzem

2-Methoxyestradiol-17beta

2-Hydroxyestradol 2-methyl ether

2-MeOE2

2-ME2

2ME2

Estradiol, 2-methoxy-

2-Hydroxyestradiol 2-methyl ether

2-methoxy-17beta-estradiol

2-Methoxyestradiol (2-MeOE2)

(17beta)-2-Methoxyestra-1,3,5(10)-triene-3,17-diol

2-Methoxyestra-1,3,5(10)-triene-3,17beta-diol

UNII-6I2QW73SR5

2-Methoxy-estradiol

2-Methoxy-beta-estradiol

NSC-659853

MLS000028819

6I2QW73SR5

CHEMBL299613

CHEBI:28955

Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17beta)-

Panzem NCD

1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER

2-methoxy-estra-1,3,5(10)-triene-3,17beta-diol

MFCD00010489

Estra-1,3,5(10)-triene-3,17beta-diol, 2-methoxy-

(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopentaaphenanthrene-3,17-diol

SMR000058478

Estra-1,3,5(10)-triene-3,17-diol, 2-methoxy-, (17b)-

(17beta)-2-methoxyestra-1(10),2,4-triene-3,17-diol

PulmoLAR

2-methoxyoestradiol

2-Methoxy-.beta.-estradiol

NSC 659853

CCRIS 9405

1lhw

Opera_ID_634

2-Methoxyestradiol, powder

M 6383

SCHEMBL8796

Lopac0_000739

(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopentaaphenanthrene-3,17-diol

MLS001076279

MLS006010142

2-Methoxyestradiol

362-07-2

Panzem

2-Methoxyestradiol-17beta

2-Hydroxyestradol 2-methyl ether

More...