PCIDB

KNApSAcK Metabolite C00009351

Metabolite

KNApSAcK Entry

id C00009351
Name Theaflavin 3,3'-di-O-gallate
CAS RN 30462-35-2
Standard InChI InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34-,40-,41-/m1/s1
Standard InChI (Main Layer) InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)

Cluster

Phytochemical cluster
KCF-S cluster No. 1179

Link

ChEMBL

By standard InChI CHEMBL434864
By standard InChI Main Layer CHEMBL434864 CHEMBL402609 CHEMBL1451483

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

26 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P29466 Caspase-1 C14 CHEMBL1451483 CHEMBL1614158 (1)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1451483 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1451483 CHEMBL1614544 (1)
11 / 10
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL1451483 CHEMBL1614554 (1) CHEMBL1613776 (1)
3 / 1
P54132 Bloom syndrome protein Enzyme CHEMBL1451483 CHEMBL1614067 (1)
1 / 2
P51570 Galactokinase Enzyme CHEMBL1451483 CHEMBL1613821 (1)
1 / 1
P11473 Vitamin D3 receptor NR1I1 CHEMBL1451483 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL1451483 CHEMBL1613800 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1451483 CHEMBL1738606 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL1451483 CHEMBL1613817 (1)
4 / 2
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1451483 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1451483 CHEMBL1614521 (1) CHEMBL1613808 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1451483 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1451483 CHEMBL1614038 (1)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL1451483 CHEMBL1614240 (1)
0 / 0
P55210 Caspase-7 C14 CHEMBL1451483 CHEMBL1613779 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1451483 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1451483 CHEMBL1614466 (1) CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1451483 CHEMBL1614250 (1) CHEMBL1614421 (1)
CHEMBL1614502 (1)
4 / 3
P10415 Apoptosis regulator Bcl-2 Other cytosolic protein CHEMBL402609 CHEMBL937576 (1)
0 / 7
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1451483 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1451483 CHEMBL1613914 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1451483 CHEMBL1613829 (1) CHEMBL1613928 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1451483 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL1451483 CHEMBL1614257 (1) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1451483 CHEMBL1614257 (1) CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (35)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#210900 Bloom syndrome; blm P54132
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#119900 Digital clubbing, isolated congenital P15428
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#600274 Frontotemporal dementia; ftd P10636
#230200 Galactokinase deficiency P51570
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#275210 Restrictive dermopathy, lethal P02545
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (43)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00036 Osteosarcoma P08684 (marker)
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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (related)
H00070 Galactosemia P51570 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)