| Name |
Mesaconitine |
| Formula |
C33H45NO11 |
| Mw |
631.29926129 |
| CAS RN |
2752-64-9 |
| C_ID |
C00001654
, 
|
| 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 |
COC[C@]12CC[C@H](OC)[C@]34C([C@H]([C@H](OC)[C@H]13)[C@]1(OC(C)=O)[C@H]3[C@@H](OC(=O)c5ccccc5)[C@](O)(C[C@H]34)[C@@H](OC)[C@@H]1O)N(C)C2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Ranunculaceae | Aconitum altaicum | Ref. |
| Plantae | Ranunculaceae | Aconitum calliantum | Ref. |
| Plantae | Ranunculaceae | Aconitum carmichaeli Debx  | Ref. |
| Plantae | Ranunculaceae | Aconitum czekanovskyi | Ref. |
| Plantae | Ranunculaceae | Aconitum faurei | Ref. |
| Plantae | Ranunculaceae | Aconitum grossedentatum | Ref. |
| Plantae | Ranunculaceae | Aconitum hakusanense Nakai | Ref. |
| Plantae | Ranunculaceae | Aconitum ibukiense Nakai | Ref. |
| Plantae | Ranunculaceae | Aconitum kamtschaticum | Ref. |
| Plantae | Ranunculaceae | Aconitum kusnezoffii  | Ref. |
| Plantae | Ranunculaceae | Aconitum leucostomum | Ref. |
| Plantae | Ranunculaceae | Aconitum makchangense | Ref. |
| Plantae | Ranunculaceae | Aconitum mandschuricum | Ref. |
| Plantae | Ranunculaceae | Aconitum manshuricum | Ref. |
| Plantae | Ranunculaceae | Aconitum napellus  | Ref. |
| Plantae | Ranunculaceae | Aconitum tortuosum | Ref. |
| Plantae | Ranunculaceae | Aconitum zuccarini | Ref. |
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zoom in
| Organism | Aconitum kusnezoffii | | Reference | Yin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).
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).
Taki, et al., Planta Med, 69, (2003), 800.
Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009) |
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