(+)-Yangambin
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Basic information
- CAS
13060-14-5- Standard SMILES
COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC- InChIKey
HRLFUIXSXUASEX-RZTYQLBFSA-N- Molecular formula
- C24H30O8
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.19406791
Overview
Yangambin is a lignan.
Names & identifiers
- Preferred name
- (+)-Yangambin
- IUPAC
- (3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
- English name
- Yangambin
- Molecular formula
- C24H30O8
- Molecular weight
- 446.49
Names & synonyms
Yangambin13060-14-5(+)-Yangambin(3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furanDTXSID601025819(3S,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furanRefChem:905490DTXCID101776691YangabinLirioresinol B dimethyl etherLirioresinol B, dimethyl-O,O-Dimethyllirioresinol B
Show more names
Yangambin, 10 mM in DMSOLrioresinol B dimethyl ether(+)-O,O-Dimethyl lirioresinol Byangambin/Lrioresinol B dimethyl etherinhibit,Calcium Channel,Yangambin,Ca channels,Ca2+ channels,Inhibitor(1β,5β)-2β,6β-Bis(3,4,5-trimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
(+)-YangabinCCRIS 8944Lirioresinol B, O,O-dimethyl-(+)-O,O-Dimethyllirioresinol BCHEMBL454592C10894( )-Yangabin1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 105 · 105-106 °C
- Boiling point
- 556.1 · 556.1±50.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- InChIKey
- HRLFUIXSXUASEX-RZTYQLBFSA-N
- SMILES
- O1C[C@]2([H])[C@@H](C3=CC(OC)=C(OC)C(OC)=C3)OC[C@]2([H])[C@H]1C1=CC(OC)=C(OC)C(OC)=C1
Chemistry & industry
Applications
UsesYangambin is one of the active ingredients of Radix Stellerae Chamaejasmes, which is bitter in nature and taste, and is highly toxic. It has the effects of severe diarrhea, prevent decay, and swelling. It is clinically used for erysipelas, mammary carbuncle, swollen mumps (mumps), yellow water sores, and acne.
Additional notes
DefinitionChEBI: Yangambin is a lignan.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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