| Name |
Methylprotodioscin
22-O-Methylprotodioscin
Methyl protodioscin
(-)-Methylprotodioscin
Smilax saponin B
Protodioscin 22-methyl ether |
| Formula |
C52H86O22 |
| Mw |
1062.56107443 |
| CAS RN |
54522-52-0 |
| C_ID |
C00030764
, 
|
| InChIKey |
HSSJYSJXBOCKQM-RQJODKLUNA-N |
| InChICode |
InChI=1S/C52H86O22/c1-21(20-66-46-40(61)39(60)36(57)31(18-53)70-46)10-15-52(65-7)22(2)33-30(74-52)17-29-27-9-8-25-16-26(11-13-50(25,5)28(27)12-14-51(29,33)6)69-49-45(73-48-42(63)38(59)35(56)24(4)68-48)43(64)44(32(19-54)71-49)72-47-41(62)37(58)34(55)23(3)67-47/h8,21-24,26-49,53-64H,9-20H2,1-7H3/t21-,22+,23+,24+,26+,27-,28+,29+,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46-,47+,48+,49-,50+,51+,52-/m1/s1 |
| SMILES |
C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CC[C@]1([C@H]3C[C@H]2[C@@H]1[C@@H]([C@](O2)(CC[C@H](CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)OC)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asparagaceae | Asparagus officinalis  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea bulbifera var.sativa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea collettii var.hypoglauca | Ref. |
| Plantae | Dioscoreaceae | Dioscorea futschauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea pseudojaponica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea rotundata | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea villosa | Ref. |
| Plantae | Dracaenaceae | Dracaena draco | Ref. |
| Plantae | Fabaceae | Trigonella caerulea | Ref. |
| Plantae | Palmae | Borassus flabellifer | Ref. |
| Plantae | Smilacaceae | Smilax china | Ref. |
| Plantae | Solanaceae | Solanum indicum | Ref. |
| Plantae | Solanaceae | Solanum tuberosum | Ref. |
| Plantae | Trilliaceae | Trillium erectum | Ref. |
|
|
zoom in
| Organism | Dioscorea rotundata |
|---|
| Reference | 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).
Chiang, et al., Chem Abstr, 116, (1992), 165861h.
Sun, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 276.
Sautou, et al., Chem Pharm Bull, 52, (2004), 1353.
Yin, et al., Journal of Natural Products, 66, (2003), 646.
Gonzalez, et al., Journal of Natural Products, 66, (2003), 793.
Yin, et al., Planta Med, 70, (2004), 220 |
|---|
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