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2035-15-6

2035-15-6 Structure

2035-15-6 Structure
IdentificationBack Directory
[Name]

(-)-Maackiain
[CAS]

2035-15-6
[Synonyms]

Inermine
Maackiaine
1-Maackiain
(-)-MAACKIAIN
MAACKIAIN, (-)-(P)
Demethylpterocarpin
Trifolirhizin aglycone
Maackiain, 98%, from Sophora japonica L.
(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol
[6aR,12aR,(-)]-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol
6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 6a,12a-dihydro-, (6aR,12aR)-
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C16H12O5
[MOL File]

2035-15-6.mol
[Molecular Weight]

284.26
Chemical PropertiesBack Directory
[Melting point ]

179~181℃
[Boiling point ]

436.2±45.0 °C(Predicted)
[density ]

1.480±0.06 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

Soluble in ethanol and methanol;
[form ]

powder
[pka]

9.45±0.20(Predicted)
[color ]

White
[Water Solubility ]

sparingly soluble in water
[Major Application]

food and beverages
[InChI]

1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m0/s1
[InChIKey]

HUKSJTUUSUGIDC-ZBEGNZNMSA-N
[SMILES]

O1[C@@H]2[C@@H](COc5c2ccc(c5)O)c3c1cc4c(c3)OCO4
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

(-)-Maackiain (CAS# 2035-15-6) has potential use in mechanisms of Pyrrosiae Folium in treating prostate cancer based on network pharmacology and molecular docking.
[Definition]

ChEBI: (-)-maackiain is the (-)-enantiomer of maackiain. It is an enantiomer of a (+)-maackiain.
[storage]

4°C, protect from light
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