input word = C00003575

Metabolite InformationStructural formula
Name Dioscin
Collettiside III
Formula C45H72O16
Mw 868.48203625
CAS RN 19057-60-4
C_ID C00003575 ,
InChIKey VNONINPVFQTJOC-KGDIGVFGNA-N
InChICode InChI=1S/C45H72O16/c1-19-9-14-45(54-18-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(52)34(50)32(48)22(4)56-41)37(53)38(29(17-46)58-42)59-40-35(51)33(49)31(47)21(3)55-40/h7,19-22,24-42,46-53H,8-18H2,1-6H3/t19-,20+,21+,22+,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[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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium ampeloprasum Ref.
PlantaeAsparagaceaeAsparagus cochinchinensis Ref.
PlantaeConvallariaceaePolygonatum zanlanscianense Ref.
PlantaeCostaceaeCostus afer Ref.
PlantaeCostaceaeCostus spp. Ref.
PlantaeDioscoreaceaeDioscorea althaeoides Ref.
PlantaeDioscoreaceaeDioscorea batatas Ref.
PlantaeDioscoreaceaeDioscorea bulbifera var.sativa Ref.
PlantaeDioscoreaceaeDioscorea collettii Ref.
PlantaeDioscoreaceaeDioscorea draco Ref.
PlantaeDioscoreaceaeDioscorea futschauensis Ref.
PlantaeDioscoreaceaeDioscorea gracillima Ref.
PlantaeDioscoreaceaeDioscorea hypoglauca Ref.
PlantaeDioscoreaceaeDioscorea japonica Ref.
PlantaeDioscoreaceaeDioscorea nipponica Ref.
PlantaeDioscoreaceaeDioscorea panthaica Ref.
PlantaeDioscoreaceaeDioscorea parviflora Ref.
PlantaeDioscoreaceaeDioscorea pseudojaponica Ref.
PlantaeDioscoreaceaeDioscorea spongiosa Ref.
PlantaeDioscoreaceaeDioscorea spp. Ref.
PlantaeDioscoreaceaeDioscorea tokoro Makino. Ref.
PlantaeDioscoreaceaeDioscorea villosa Ref.
PlantaeDioscoreaceaeDioscorea zingiberensis Ref.
PlantaeFabaceaeTrigonella spp. Ref.
PlantaeMenispermaceaeStephania cepharantha Ref.
PlantaePoaceaePhragmites communis Ref.
PlantaeRuscaceaeSmilacina atropurpurea Ref.
PlantaeSmilacaceaeSmilax china Ref.
PlantaeSolanaceaeSolanum sodomaeum Ref.
PlantaeTrilliaceaeParis polyphylla Ref.
PlantaeTrilliaceaeParis spp. Ref.
PlantaeTrilliaceaeTrillium erectum Ref.
PlantaeTrilliaceaeTrillium spp. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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OrganismDioscorea nipponica
ReferenceOu, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Dong, et al., Planta Med, 70, (2004), 637.

Sautour, et al., Planta Med, 70, (2004), 90.

Yin, et al., Journal of Natural Products, 66, (2003), 646.

Gonzalez, et al., Journal of Natural Products, 66, (2003), 793.

Sun, et al., Chinese Traditional and Herbal Drugs(Zhongcaoyao), 33, (2002), 276.

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

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).

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

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).