PCIDB

KNApSAcK Metabolite C00041068

Metabolite

KNApSAcK Entry

id C00041068
Name Neotheaflavin 3-O-gallate
CAS RN 220473-68-7
Standard InChI InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29+,34+,35+/m0/s1
Standard InChI (Main Layer) InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)

Cluster

Phytochemical cluster
KCF-S cluster No. 1179

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL253536

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Theaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Camellia sinensis 4442 Theaceae asterids Viridiplantae

Human Protein / Gene in interaction

1 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10415 Apoptosis regulator Bcl-2 Other cytosolic protein CHEMBL253536 CHEMBL937576 (1)
0 / 7

Related Disease

Diseases related to proteins in ChEMBL interactions

KEGG DISEASE (7)

KEGG disease name UniProt
H00005 Chronic lymphocytic leukemia (CLL) P10415 (related)
H00013 Small cell lung cancer P10415 (related)
H00018 Gastric cancer P10415 (related)
H00028 Choriocarcinoma P10415 (related)
H00030 Cervical cancer P10415 (related)
H00041 Kaposi's sarcoma P10415 (related)
H00054 Nasopharyngeal cancer P10415 (related)