Basic information
- CAS
56701-24-7- Standard SMILES
COc1ccc(C2COc3cc(O)ccc3C2)c(O)c1- InChIKey
XRVFNNUXNVWYTI-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
Vestitol is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as a phytoalexin, an anti-inflammatory agent and a plant metabolite. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan.
Names & identifiers
- Preferred name
- Vestitol
- IUPAC
- 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
- English name
- 2',7-Dihydroxy-4'-methoxyisoflavan
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
Vestitol3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-olZ244UVZ669CHEBI:69088RefChem:93401156701-24-7(+/-)-VestitolDL-Vestitol2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)-3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol2',7-DIHYDROXY-4'-METHOXYISOFLAVANVestitol, (+/-)-
Show more names
(±)-VestitolUNII:Z244UVZ669VESTITOL(RG)(PLEASE CALL)3-(2-Hydroxy-4-methoxyphenyl)-7-chromanol
3-(2-Hydroxy-4-methoxy-phenyl)chroman-7-ol(3R)-Vestitol; (R)-(-)-Vestitol; Vestitol(+-)-Vestitol3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-olUNII-Z244UVZ6693-(2-hydroxy-4-methoxyphenyl)chroman-7-ol(? currency)-VestitolMEGxp0_000408
Database identifiers
- CAS
56701-24-7- PubChem CID
- 92503
- DTXSID
DTXSID801178444
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 172 · 172-179℃
- Boiling point
- 418.5 · 418.5±45.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- 2 mg/mL, · DMSO: 2mg/mL, clear
- pka
- 9.53 · 9.53±0.40(Predicted)
- form
- powder
- color
- white to beige
- FDA UNII
- 244 UVZ669 · Z244UVZ669
- 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
UsesVestitol is the compound isolated from leaves of Trifolium arvense[1].
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
武汉华瀚鼎诚新材料科技有限公司18963961905 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
ALB Technology Limited702-983-3769 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
EMMX Biotechnology LLC
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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