Basic information
- CAS
4208-09-7- Standard SMILES
C=C(CO)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1- InChIKey
ZJMLELXRQUXRIU-HBGVWJBISA-N- Molecular formula
- C23H22O7
- Average molar mass
- 410.4 g/mol
- Monoisotopic mass
- 410.13655304
Overview
Amorphigenin is a member of rotenones.
Names & identifiers
- Preferred name
- Amorphigenin
- IUPAC
- (1S,6R,13S)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
- English name
- amorphigenin
- Molecular formula
- C23H22O7
- Molecular weight
- 410.42
Names & synonyms
Amorphigenin4208-09-73'-Hydroxyrotenone(1S,6R,13S)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one(1S,6R,13S)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo(11.8.0.03,11.04,8.014,19)henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneRefChem:1122538'-Hydroxyrotenone(2r,6as,12as)-2-(3-hydroxyprop-1-en-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-oneRotenone, 8'-hydroxy-DTXSID70962267SCHEMBL74859CHEMBL465552
Show more names
(2R)-8,9-Dimethoxy-2α-[1-(hydroxymethyl)ethenyl]-1,2,12,12aα-tetrahydro[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aαH)-one[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-2-[1-(hydroxymethyl)ethenyl]-8,9-dimethoxy-, (2R,6aS,12aS)-
orb1986540SCHEMBL30989228CHEBI:183897LMPK12060012AKOS030494394NS00094575T30026Q63396516
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 680
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Rotenoid flavonoids [PK1206]
Physicochemical properties
- Melting point
- 191 · 191-192 °C
- Boiling point
- 612.9 · 612.9±55.0 °C(Predicted)
- Density
- 1.333 · 1.333±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.10(Predicted)
- Toxicity
- 50 oral · LD50 oral in mouse: 2600ug/kg
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
- Toxicity
- LD50 oral in mouse: 2600ug/kg
Chemistry & industry
Suppliers4 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Amorphigenin is a member of rotenones.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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