Metabolite

KNApSAcK Entry

id C00003575
Name Dioscin
CAS RN 19057-60-4
Standard InChI 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
Standard InChI (Main Layer) 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

Cluster

Phytochemical cluster No. 11
KCF-S cluster No. 17

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL507001 CHEMBL2036081 CHEMBL2036082

KEGG

By LinkDB C08897

CTD

By CAS RN C019357

Species

Summary


List (20)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Costus afer 328752 Costaceae Liliopsida Viridiplantae
Costus spp. 4631 Costaceae Liliopsida Viridiplantae
Dioscorea bulbifera var.sativa 4672 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea futschauensis 374971 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea panthaica 336258 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea parviflora 930788 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea pseudojaponica 4673 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea spongiosa 394307 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea spp. 4672 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea tokoro Makino. 4672 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea villosa 330167 Dioscoreaceae Liliopsida Viridiplantae
Dioscorea zingiberensis 325984 Dioscoreaceae Liliopsida Viridiplantae
Paris spp. 49669 Melanthiaceae Liliopsida Viridiplantae
Smilacina atropurpurea 261433 Asparagaceae Liliopsida Viridiplantae
Smilax china 49657 Smilacaceae Liliopsida Viridiplantae
Solanum sodomaeum 4107 Solanaceae asterids Viridiplantae
Tribulus terrestris 210369 Zygophyllaceae rosids Viridiplantae
Trigonella spp. 78532 Fabaceae rosids Viridiplantae
Trillium erectum 50545 Melanthiaceae Liliopsida Viridiplantae
Trillium spp. 49674 Melanthiaceae Liliopsida Viridiplantae


Related Disease

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D056486 C019357 Drug-Induced Liver Injury therapeutic
22939915
D009336 C019357 Necrosis therapeutic
22939915