| Name |
Protogracillin |
| Formula |
C51H84O23 |
| Mw |
1064.54033899 |
| CAS RN |
54848-30-5 |
| C_ID |
C00003586
, 
|
| InChIKey |
GMCGZPQYTRHQRU-GKZRAUSLNA-N |
| InChICode |
InChI=1S/C51H84O23/c1-20(19-66-45-40(62)38(60)34(56)29(16-52)69-45)8-13-51(65)21(2)32-28(74-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)68-48-44(73-46-41(63)37(59)33(55)22(3)67-46)43(36(58)31(18-54)71-48)72-47-42(64)39(61)35(57)30(17-53)70-47/h6,20-22,24-48,52-65H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,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-/m1/s1 |
| SMILES |
CC1O[C@@H](OC2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@](O)(CC[C@@H](C)CO[C@@H]8OC(CO)[C@@H](O)C(O)C8O)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)OC(CO)[C@@H](O)[C@@H]2O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Costaceae | Costus speciosus  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea futschauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea gracillima | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea tokoro | Ref. |
| Plantae | Dioscoreaceae | Dioscorea zingiberensis | Ref. |
| Plantae | Zygophyllaceae | Tribulus terrestris | Ref. |
| - | - | Dioscora parviflora | Ref. |
|
|
zoom in
| Organism | Tribulus terrestris |
|---|
| Reference | Chen, et al., Chapter 25, RAW MATERIAL PLANTS OF STEROIDS DRUGS, in Modern Studies of Chinese Herbal Medicine, edited by Institute of Materia Medica, Chinese Academy of Medical Sciences, Vol.2, 226-254, Union Press of Beijing Medical University and Peking Union Medical College, Beijing, (1996).
Xu et al., Chinese Materia Medica, 1154-6, Chinese Medicinal Science and Technology Press, (1996).
Chen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).
Wu, et al., JNP, 65, (2002), 1719 |
|---|
|
