PCIDB

KNApSAcK Metabolite C00005219

Metabolite

KNApSAcK Entry

id C00005219
Name Clitorin / Kaempferol 3-(2G-rhamnosylrutinoside)
CAS RN 55804-74-5
Standard InChI InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10?,11?,17?,19-,20-,21+,23-,24?,25?,26?,27-,30?,31+,32-,33-/m0/s1
Standard InChI (Main Layer) InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 5

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL362593 CHEMBL1454324 CHEMBL2005346

KEGG

By LinkDB

CTD

By CAS RN C077190

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P11387 DNA topoisomerase 1 Isomerase CHEMBL362593 CHEMBL832445 (1) CHEMBL832449 (1)
CHEMBL832450 (1)
0 / 0