Basic information
- CAS
67884-30-4- Standard SMILES
COc1cc(O)cc(CCc2ccc(OC)c(O)c2)c1- InChIKey
SDXKZPQOVUDXIY-UHFFFAOYSA-N- Molecular formula
- C16H18O4
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.12050905
Overview
Gigantol has been reported in Cymbidium giganteum, Dendrobium candidum, and other organisms with data available.
Names & identifiers
- Preferred name
- 5-(2-(3-Hydroxy-5-methoxyphenyl)ethyl)-2-methoxyphenol
- IUPAC
- 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol
- English name
- Dendrophenol
- Molecular formula
- C16H18O4
- Molecular weight
- 274.31
Names & synonyms
Gigantol67884-30-45-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenolDTXSID902181125-(2-(3-Hydroxy-5-methoxyphenyl)ethyl)-2-methoxyphenolRefChem:913095DTXCID101406033,3'-Dihydroxy-4',5-Dimethoxybibenzyl4-(2-(3-hydroxy-5-methoxyphenyl)ethyl)-2-methoxyphenolGigantol isomer-15-(3-hydroxy-5-methoxyphenethyl)-2-methoxyphenolPhenol, 5-[2-(3-hydroxy-5-methoxyphenyl)ethyl]-2-methoxy-
Show more names
GiganticDendrobium phenolGigantol, 10 mM in DMSODendrobium phenol (Standard)inhibit,Wnt,Gigantol,InhibitorGigantol ( 5-[2-(3-Hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol)
3-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-5-methoxyphenolMFCD111003265-[2-(3-Hydroxy-5-methoxyphenyl)ethyl]-2-methoxyphenol; 3,3'-Dihydroxy-5,4'-dimethoxybibenzyl; GigantolCHEMBL426871orb1221890orb1297659orb3140620SCHEMBL16125315
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 454.1 · 454.1±40.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 160 mg/mL · DMSO : ≥ 160 mg/mL (583.28 mM)
- pka
- 9.63 · 9.63±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,17-18H,3-4H2,1-2H3
- InChIKey
- SDXKZPQOVUDXIY-UHFFFAOYSA-N
- SMILES
- C1(O)=CC(CCC2=CC(OC)=CC(O)=C2)=CC=C1OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesDendrophenol can be used to protect against high glucose-evoked nephrotoxicity in vivo. It can be used with HPLC-PDA-HRMS-SPE-NMR for determination of its inhibitive activities.
Suppliers94 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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