| Name |
Gracillin |
| Formula |
C45H72O17 |
| Mw |
884.47695088 |
| CAS RN |
19083-00-2 |
| C_ID |
C00003579
, 
|
| InChIKey |
YQEMAEKYNNOCBY-HMOFGMDINA-N |
| InChICode |
InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42+,43+,44+,45-/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@@]1(O2)OC[C@@H](CC1)C)C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convallariaceae | Polygonatum zanlanscianense | Ref. |
| Plantae | Costaceae | Costus speciosus  | Ref. |
| Plantae | Dioscoreaceae | Dioscorea althaeoides | Ref. |
| Plantae | Dioscoreaceae | Dioscorea collettii var.hypoglauca | Ref. |
| Plantae | Dioscoreaceae | Dioscorea fustchauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea futschauensis | Ref. |
| Plantae | Dioscoreaceae | Dioscorea gracillima | Ref. |
| Plantae | Dioscoreaceae | Dioscorea panthaica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea parviflora | Ref. |
| Plantae | Dioscoreaceae | Dioscorea pseudojaponica | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spongiosa | Ref. |
| Plantae | Dioscoreaceae | Dioscorea spp. | Ref. |
| Plantae | Dioscoreaceae | Dioscorea zingiberensis | Ref. |
| Plantae | Smilacaceae | Smilax china | Ref. |
| Plantae | Zygophyllaceae | Tribulus terrestris | Ref. |
|
|
zoom in
| Organism | Smilax china |
|---|
| Reference | Jin, et al., Journal of Natural Products, 67, (2004), 1992.
Yin, et al., Journal of Natural Products, 66, (2003), 646.
Chen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).
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).
Edited by Jiangsu New Medicinal College, Chinese Medicine Dictionary, Shanghai Science and technology Press, Shanghai, (1979).
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). |
|---|
|
