| Identification | Back Directory | [Name]
humantenmine | [CAS]
82354-38-9 | [Synonyms]
humantenmine
Spiro[3H-indole-3,7'(6'H)-[3,6]methano[3H]oxepino[4,3-b]pyrrol]-2(1H)-one, 2'-ethyl-3'a,4',8',8'a-tetrahydro-1-methoxy-, (3S,3'R,3'aS,6'R,8'aS)- | [Molecular Formula]
C19H22N2O3 | [MDL Number]
MFCD20260333 | [MOL File]
82354-38-9.mol | [Molecular Weight]
326.39 |
| Chemical Properties | Back Directory | [Boiling point ]
463.6±55.0 °C(Predicted) | [density ]
1.44±0.1 g/cm3(Predicted) | [solubility ]
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. | [form ]
Cryst. | [pka]
7.17±0.20(Predicted) | [color ]
Off-white to light yellow | [InChI]
InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1 | [InChIKey]
BIGABVPVCRHEES-NWPJSNQLSA-N | [SMILES]
N1(OC)C2=C(C=CC=C2)[C@@]2([C@@]3([H])C[C@@]4([H])C(CC)=N[C@@]([H])(C2)[C@@]4([H])CO3)C1=O |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless block crystal (acetone), melting point 166 ~ 168℃, soluble in benzene, chloroform and alcohols and other organic solvents. | [Biological Activity]
Humantenmine, an alkaloid isolated from Chinese nematode, has potential for pain and rheumatoid arthritis. | [in vitro]
Humantenmine (HMT) decreases the 14-day survival rate of the mice to 17% after they are intragastrically treated with HMT, along with hepatic injury and increasing alanine aminotransferase (ALT)/aspartate aminotransferase (AST) levels. CYP3A4/5 mediates the metabolism and detoxification of HMT. | [target]
P450 (e.g. CYP17) |
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