| Identification | Back Directory | [Name]
humantenirine | [CAS]
82375-30-2 | [Synonyms]
humantenirine
Humanlenirine
4-Demethyl-11-methoxyhumantenine
Spiro[3H-indole-3,8'(7'H)-[4,7]methanooxepino[4,3-b]pyridin]-2(1H)-one, 3'-ethylidene-1',2',3',4',4'a,5',9',9'a-octahydro-1,6-dimethoxy-, (3S,3'Z,4'R,4'aS,7'R,9'aS)- | [Molecular Formula]
C21H26N2O4 | [MDL Number]
MFCD26406082 | [MOL File]
82375-30-2.mol | [Molecular Weight]
370.44 |
| Chemical Properties | Back Directory | [Boiling point ]
531.130±60.00 °C(Press: 760.00 Torr)(predicted) | [density ]
1.302±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Powder | [pka]
9.197±0.20(predicted) | [InChIKey]
ZORKKCARNQAZRJ-WQMYVFALSA-N | [SMILES]
N1(OC)C2=C(C=CC(OC)=C2)[C@@]2([C@@]3([H])C[C@@]4([H])/C(=C/C)/CN[C@@]([H])(C2)[C@@]4([H])CO3)C1=O |
| Hazard Information | Back Directory | [Description]
Humantenirine is an oxindole alkaloid that has been shown to have potent inhibition of the enzyme activities. It is a natural product that has been isolated from the plant Humantenia nitens, which is found in Gabon, Africa. Humantenirine has a skeleton similar to other indole alkaloids and contains a hydroxy group on one of the rings. This compound has been shown to be stereoselective and monoterpenoid and may have potential as an anti-inflammatory drug. | [Chemical Properties]
Humantenirine ( C21H26N2O4 colorless cubic crystals, mp 168- 169°C, M+ 370.1944). Its UV spectrum is similar to that of gelsemicine; hence both have the same chromophore, 7-methoxy-3,3-disubstituted N-methoxy-oxindole. | [Occurrence]
Humantenirine is a natural product found in Gelsemium sempervirens, Gelsemium elegans, and Gelsemium rankinii with data available. | [target]
P450 (e.g. CYP17) |
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