Metabolite

KNApSAcK Entry

id C00036244
Name Yunnanxane
CAS RN 139713-81-8
Standard InChI InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1
Standard InChI (Main Layer) InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3

Cluster

Phytochemical cluster
KCF-S cluster No. 297

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL323283 CHEMBL245750

KEGG

By LinkDB

CTD

By CAS RN C076298

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P08183 Multidrug resistance protein 1 drug CHEMBL245750 CHEMBL886635 (1) CHEMBL887755 (1)
CHEMBL886636 (1)
1 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (1)

OMIM preferred title UniProt
#612244 Inflammatory bowel disease 13; ibd13 P08183