Basic information
- CAS
487-41-2- Standard SMILES
COc1ccc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC- InChIKey
KFFCKOBAHMGTMW-LGQRSHAYSA-N- Molecular formula
- C27H34O11
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.2101119
Overview
Forsythin is a glycoside and a lignan.
Names & identifiers
- Preferred name
- Phillyrin
- IUPAC
- (2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- FORSYTHIN
- Molecular formula
- C27H34O11
- Molecular weight
- 534.55
Names & synonyms
PhillyrinVE9P4964MGDTXSID40197589(2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol4-(4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-beta-D-glucopyranoside(2S,3R,4S,5S,6R)-2-(4-((3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triolRefChem:173163DTXCID50120080beta-D-Glucopyranoside, 4-((1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl(2S,3R,4S,5S,6R)-2-(4-((3S,3aR,6R,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol487-41-2Forsythin
Show more names
PhillyrosidePhyllyrinPillyrinChionanthinPhillyrin-RMEordythia P.E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 757
Physicochemical properties
- Melting point
- 157 ℃ · approximate 157℃
- Boiling point
- 730.4 · 730.4±60.0 °C(Predicted)
- Density
- 1.361 · 1.361±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.81 · 12.81±0.70(Predicted)
- color
- Off-White to Pale Beige
- Major Application
- food and beverages
- InChIKey
- KFFCKOBAHMGTMW-LGQRSHAYSA-N
- SMILES
- O[C@@H]([C@H](O)[C@@H](CO)O1)[C@@H](O)[C@@H]1OC(C=C2)=C(OC)C=C2[C@H]3OC[C@]4([H])[C@@H](OC[C@@]43[H])C5=CC(OC)=C(OC)C=C5
- FDA UNII
- 9 P4964MG · VE9P4964MG
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- hs_code
- 29389090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPhillyrin is a natural lignan compound attenuating tumor necrosis factor secreted from macrophages, that play an inportant role in adipocyte dysfunctions. Anti-obesity.
Upstream & downstream products
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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