Basic information
- CAS
586410-08-4- Standard SMILES
COc1cc(/C=C\c2ccc(OC)c(O)c2)cc(OC)c1- InChIKey
UQIWTPQGJCCTPA-PLNGDYQASA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Overview
Phenol, 5-[(1z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- is a stilbenoid.
Names & identifiers
- Preferred name
- Cis-3,4',5-trimethoxy-3'-hydroxystilbene
- IUPAC
- 5-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenol
- English name
- cis-3,4',5-Trimethoxy-3'-hydroxystilbene
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
CIS-3,4',5-TRIMETHOXY-3'-HYDROXYSTILBENERefChem:918697586410-08-45-[(1Z)-2-(3,5-DIMETHOXYPHENYL)ETHENYL]-2-METHOXY-PHENOLMFCD049736525-[(Z)-2-(3,5-DIMETHOXYPHENYL)ETHENYL]-2-METHOXYPHENOLCAY10616(Z)-5-(3,5-dimethoxystyryl)-2-methoxyphenolPhenol, 5-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-CHEMBL116888orb2283747SCHEMBL2966533
Show more names
DTXSID80435775CHEBI:1911165-[(1Z)-2-(3,5-DiMethoxyphenyl)ethenyl]-2-MethoxyphenolHMS3648K16FT28521HY-118452cis-3,5,4'-trimethoxy-3'-hydroxy stilbeneCS-0065985
Database identifiers
- CAS
586410-08-4- PubChem CID
- 10108048
- DTXSID
DTXSID80435775- ChEMBL
CHEMBL116888- ChEBI
CHEBI:191116- Nikkaji
- J435.583K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Melting point
- N /A
- Boiling point
- 472.8 · 472.8±45.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.68 · 9.68±0.10(Predicted)
- color
- Pale Yellow
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
Chemistry & industry
Applications
UsesA derivative of Resveratrol which shows apoptotic activity at nanomolar concentrations. Has an IC50= 0.3. It showed activity toward resistant HL60R cells and their activity was higher than that of several classic chemotherapeutic agents.
Suppliers11 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
VDM Biochemicals0330-2528181 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Additional notes
DefinitionChEBI: Phenol, 5-[(1z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy- is a stilbenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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