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5,7-Dimethoxy-2,3-phenanthrenediol

CAT: 0013-GTR19217414-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217414-01Size:5 mg
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Description
5,7-Dimethoxy-2,3-phenanthrenediol demonstrates estrogenic activity by promoting MCF-7 cell proliferation and enhancing ERβ expression. It is applied in vitro for estrogen receptor research, breast cancer studies, and endocrine disruption screening, based on published cell-based assay data in molecular endocrinology.
CAS Number
42050-16-8
Smiles
OC=1C=C2C=CC3=CC (OC) =CC (OC) =C3C2=CC1O
Molecular Formula
C16H14O4
Molecular Weight
270.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5,7-Dimethoxyphenanthrene-2,3-diol

Phenanthrene-2,3-diol, 5,7-dimethoxy- has been reported in Combretum hereroense, Dioscorea polystachya, and Pseudomonas cichorii with data available.

CAS Number42050-16-8
PubChem CID179534
IUPAC Name5,7-dimethoxyphenanthrene-2,3-diol
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP3.7
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity334
SMILES
COC1=CC(=C2C(=C1)C=CC3=CC(=C(C=C32)O)O)OC
InChI
InChI=1S/C16H14O4/c1-19-11-5-10-4-3-9-6-13(17)14(18)8-12(9)16(10)15(7-11)20-2/h3-8,17-18H,1-2H3
InChIKey
MZHODDNWVOFAGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dimethoxyphenanthrene-2,3-diol
CAS: 42050-16-8
CID: 179534
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area58.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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