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(7S) -Dalbergiphenol

CAT: 0804-HY-N8754Size: 1 EachDry Ice: NoHazardous: No
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Description
(7S) -Dalbergiphenol is a cytotoxic compound that can be isolated from Brazilian red propoli. (7S) -Dalbergiphenol inhibits cancer cell viability. Brazilian red propoli has cardioprotective activity[1][2].
CAS Number
52811-31-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/7s-dalbergiphenol.html
Solubility
10 mM in DMSO
Smiles
OC1=CC([C@H](C2=CC=CC=C2)C=C)=C(OC)C=C1OC
Molecular Formula
C17H18O3
Molecular Weight
270.32
References & Citations
[1]Li F, et al. Cytotoxic constituents from Brazilian red propolis and their structure-activity relationship. Bioorg Med Chem. 2008 May 15;16 (10) :5434-40.|[2]Cardioprotective effect of hydroalcoholic extract of Brazilian red propolis against isoproterenol-induced myocardial infarction in rats. Phytomedicine Plus. 2022, 2 (1), 100190.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dalbergiphenol

dalbergiphenol has been reported in Dalbergia cochinchinensis and Propolis with data available.

CAS Number52811-31-1
PubChem CID44446855
IUPAC Name2,4-dimethoxy-5-[(1S)-1-phenylprop-2-enyl]phenol
Molecular FormulaC17H18O3
Molecular Weight270.32
XLogP4
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity299
SMILES
COC1=CC(=C(C=C1[C@@H](C=C)C2=CC=CC=C2)O)OC
InChI
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m0/s1
InChIKey
SLLCQEPKLKMZKP-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Dalbergiphenol
CAS: 52811-31-1
CID: 44446855
Formula: C17H18O3
MW: 270.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.32
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass270.125594432
Monoisotopic Mass270.125594432
Topological Polar Surface Area38.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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