input word = C00001650

Metabolite InformationStructural formula
Name Lappaconitine
Formula C32H44N2O8
Mw 584.3097664
CAS RN 32854-75-4
C_ID C00001650 ,
InChIKey NWBWCXBPKTTZNQ-DJACMGDFNA-N
InChICode InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
SMILES [C@@]12([C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@]5([C@@]([C@@H](C3)[C@H]4N(C2)CC)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)O)OC(=O)c1c(cccc1)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum barbatum var.puberulum Ref.
PlantaeRanunculaceaeAconitum excelsum Ref.
PlantaeRanunculaceaeAconitum finetianum Ref.
PlantaeRanunculaceaeAconitum laeve Ref.
PlantaeRanunculaceaeAconitum leucostomum Worosch. Ref.
PlantaeRanunculaceaeAconitum orientale Ref.
PlantaeRanunculaceaeAconitum ranunculaefolium Ref.
PlantaeRanunculaceaeAconitum septentrionale Ref.
PlantaeRanunculaceaeAconitum sinomontanum Ref.
PlantaeRanunculaceaeDelphinium cashmerianum Ref.
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OrganismAconitum finetianum
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Yang, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 35, (2000), 208.

Shaheen, et al., Phytochemistry, 66, (2005), 935