KNApSAcK Metabolite C00009348
Metabolite
KNApSAcK Entry
| id | C00009348 |
|---|---|
| Name | Theaflavin |
| CAS RN | 4670-05-7 |
| Standard InChI | InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1179 |
Link
ChEMBL
| By standard InChI | CHEMBL346119 |
|---|---|
| By standard InChI Main Layer | CHEMBL346119 CHEMBL403814 CHEMBL1512440 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C056068 |
|---|
Species
Summary
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Camellia sinensis | 4442 | Theaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
21 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P29466 | Caspase-1 | C14 | CHEMBL1512440 |
CHEMBL1614158
(1)
|
0 / 0 |
| O75604 | Ubiquitin carboxyl-terminal hydrolase 2 | Enzyme | CHEMBL1512440 |
CHEMBL1614331
(1)
|
0 / 0 |
| P10828 | Thyroid hormone receptor beta | NR1A2 | CHEMBL1512440 |
CHEMBL1613776
(1)
|
3 / 1 |
| P54132 | Bloom syndrome protein | Enzyme | CHEMBL1512440 |
CHEMBL1614067
(1)
|
1 / 2 |
| P51570 | Galactokinase | Enzyme | CHEMBL1512440 |
CHEMBL1613821
(1)
|
1 / 1 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1512440 |
CHEMBL1794311
(1)
|
2 / 3 |
| Q92830 | Histone acetyltransferase KAT2A | Enzyme | CHEMBL1512440 |
CHEMBL1738606
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1512440 |
CHEMBL1794467
(1)
|
0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL1512440 |
CHEMBL1613910
(1)
|
3 / 3 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL1512440 |
CHEMBL1614038
(1)
|
2 / 2 |
| P16050 | Arachidonate 15-lipoxygenase | Enzyme | CHEMBL1512440 |
CHEMBL1614240
(1)
|
0 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1512440 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL1512440 |
CHEMBL1614466
(1)
CHEMBL1614211
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1512440 |
CHEMBL1614250
(1)
CHEMBL1614421
(1)
CHEMBL1614502 (1) |
4 / 3 |
| P10415 | Apoptosis regulator Bcl-2 | Other cytosolic protein | CHEMBL403814 |
CHEMBL937576
(1)
|
0 / 7 |
| Q9UBT6 | DNA polymerase kappa | Enzyme | CHEMBL1512440 |
CHEMBL1794536
(1)
|
0 / 0 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL1512440 |
CHEMBL1613914
(1)
|
0 / 0 |
| P46063 | ATP-dependent DNA helicase Q1 | Enzyme | CHEMBL1512440 |
CHEMBL1613829
(1)
|
0 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | CHEMBL1512440 |
CHEMBL1614364
(1)
|
1 / 1 |
| O00255 | Menin | Unclassified protein | CHEMBL1512440 |
CHEMBL1614257
(1)
CHEMBL1614531
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1512440 |
CHEMBL1614257
(1)
CHEMBL1614531
(1)
|
1 / 3 |
CTD interaction (10)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C056068 | 581 |
BAX
BCL2L4 |
BCL2-associated X protein | theaflavin results in increased expression of BAX protein |
increases expression
|
protein |
17499812
|
| C056068 | 596 |
BCL2
Bcl-2 PPP1R50 |
B-cell CLL/lymphoma 2 | theaflavin results in decreased expression of BCL2 protein |
decreases expression
|
protein |
17499812
|
| C056068 | 836 |
CASP3
CPP32 CPP32B SCA-1 |
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) | theaflavin results in increased cleavage of and results in increased activity of CASP3 protein |
increases activity
/ increases cleavage |
protein |
17499812
|
| C056068 | 842 |
CASP9
APAF-3 APAF3 ICE-LAP6 MCH6 PPP1R56 |
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) | theaflavin results in increased cleavage of and results in increased activity of CASP9 protein |
increases activity
/ increases cleavage |
protein |
17499812
|
| C056068 | 54205 |
CYCS
CYC HCS THC4 |
cytochrome c, somatic | theaflavin results in increased expression of CYCS protein |
increases expression
|
protein |
17499812
|
| C056068 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | theaflavin results in decreased phosphorylation of MAPK1 protein |
decreases phosphorylation
|
protein |
17499812
|
| C056068 | 1432 |
MAPK14
CSBP CSBP1 CSBP2 CSPB1 EXIP Mxi2 PRKM14 PRKM15 RK SAPK2A p38 p38ALPHA |
mitogen-activated protein kinase 14 (EC:2.7.11.24) | theaflavin results in decreased phosphorylation of MAPK14 protein |
decreases phosphorylation
|
protein |
17499812
|
| C056068 | 5595 |
MAPK3
ERK-1 ERK1 ERT2 HS44KDAP HUMKER1A P44ERK1 P44MAPK PRKM3 p44-ERK1 p44-MAPK |
mitogen-activated protein kinase 3 (EC:2.7.11.24) | theaflavin results in decreased phosphorylation of MAPK3 protein |
decreases phosphorylation
|
protein |
17499812
|
| C056068 | 5970 |
RELA
NFKB3 p65 |
v-rel avian reticuloendotheliosis viral oncogene homolog A | theaflavin affects the localization of RELA protein |
affects localization
|
protein |
17499812
|
| C056068 | 7157 |
TP53
BCC7 LFS1 P53 TRP53 |
tumor protein p53 | theaflavin results in increased expression of TP53 protein |
increases expression
|
protein |
17499812
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (20)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #210900 | Bloom syndrome; blm |
P54132
|
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #230200 | Galactokinase deficiency |
P51570
|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #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
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #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 (31)
| 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)
|
| 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)
|
| 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)
|