input word = C00001644

Metabolite InformationStructural formula
Name Hypaconitine
Formula C33H45NO10
Mw 615.30434667
CAS RN 6900-87-4
C_ID C00001644 ,
InChIKey FIDOCHXHMJHKRW-BDJAKUOINA-N
InChICode InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30+,31-,32+,33+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)C)([C@H]([C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)O)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum bullatifolium var.homotrichum Ref.
PlantaeRanunculaceaeAconitum callianthum Ref.
PlantaeRanunculaceaeAconitum calliantum Ref.
PlantaeRanunculaceaeAconitum carmichaeli Ref.
PlantaeRanunculaceaeAconitum coreanum Ref.
PlantaeRanunculaceaeAconitum czekanovskyi Ref.
PlantaeRanunculaceaeAconitum grossedentatum Ref.
PlantaeRanunculaceaeAconitum hakusanense Nakai Ref.
PlantaeRanunculaceaeAconitum japonicum Ref.
PlantaeRanunculaceaeAconitum kamtschaticum Ref.
PlantaeRanunculaceaeAconitum kusnezoffii Reichb. Ref.
PlantaeRanunculaceaeAconitum manshuricum Ref.
PlantaeRanunculaceaeAconitum napellus Ref.
PlantaeRanunculaceaeAconitum senanense Nakai Ref.
PlantaeRanunculaceaeAconitum tortuosum Ref.
PlantaeRanunculaceaeAconitum zuccarini Ref.
zoom in



OrganismAconitum bullatifolium var.homotrichum
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).

Wang, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 30, (1995), 716.

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Ou, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)