Record Information
Version1.0
Creation date2015-10-09 22:30:49 UTC
Update date2017-01-19 02:36:25 UTC
FoodComEx IDPC000465
FoodDB RecordFDB021962
Chemical Information
Name2-Hydroxyestradiol
Description2-Hydroxyestradiol is generated from estradiol by a Cytochrome P450. 2-Hydroxyestradiol binds, with a low affinity, to estrogen receptors. It inhbits catechol-O-methyltransferase (COMT) activity. Inactivity of COMT blocks inactivation of catechol hormones and catecholamine neutransmitters. 2-Hydroxyestradiol is also reported to inhibit angiongensis and tumor cell growth (PMID: 9472688). [HMDB]
CAS Number362-05-0
Structure
Thumb
Synonyms
SynonymSource
(17b)-Estra-1,3, 5(10)-triene-2,3,17-triolhmdb
(17b)-Estra-1,3,5(10)-triene-2,3,17-triolGenerator
(17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triolhmdb
(17beta)-Estra-1,3,5(10)-triene-2,3,17-triolhmdb
(17β)-estra-1,3,5(10)-triene-2,3,17-triolGenerator
1,3,5(10)-estratriene-2,3,17Beta-triolhmdb
17beta-2-Hydroxyestradiolhmdb
2-hydroxy-17beta-estradiolhmdb
2-hydroxy-estradiolhmdb
2-Hydroxyestradiolhmdb
2-Hydroxyestradiol-17bGenerator
2-Hydroxyestradiol-17betaChEBI
2-Hydroxyestradiol-17βGenerator
2-OH-e2ChEBI
2-OH-Estradiolhmdb
2,3,17b-Trihydroxyestra-1,3,5(10)-trienehmdb
ECShmdb
Estra-1,3,5 (10)-triene-2,3,17.beta.-triolhmdb
Estra-1,3,5(10)-triene-2,3,17-beta-triolhmdb
estra-1,3,5(10)-triene-2,3,17-triol (ACD/Name 4.0)hmdb
Estra-1,3,5(10)-triene-2,3,17b-triolhmdb
estra-1,3,5(10)-triene-2,3,17beta-triolhmdb
Chemical FormulaNot Available
IUPAC nameNot Available
InChI IdentifierInChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
InChI KeyDILDHNKDVHLEQB-XSSYPUMDSA-N
Isomeric SMILES[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(O)=C3
Average Molecular Weight288.3814
Monoisotopic Molecular Weight288.172544634
Chemical Taxonomy
ClassificationNot classified
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 5 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 1354AH
Cayman Chemical 13019
Toronto Research Chemicals H941890