PCIDB

KNApSAcK Metabolite C00001010

Metabolite

KNApSAcK Entry

id C00001010
Name Theasinensin A
CAS RN 89064-31-3
Standard InChI InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1
Standard InChI (Main Layer) InChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2

Cluster

Phytochemical cluster No. 19
KCF-S cluster No. 29

Link

ChEMBL

By standard InChI CHEMBL349197
By standard InChI Main Layer CHEMBL349197 CHEMBL1394337

KEGG

By LinkDB C09972

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

16 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1394337 CHEMBL1614331 (1)
0 / 0
P54132 Bloom syndrome protein Enzyme CHEMBL1394337 CHEMBL1614067 (1)
1 / 2
P11473 Vitamin D3 receptor NR1I1 CHEMBL1394337 CHEMBL1794311 (1)
2 / 3
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1394337 CHEMBL1738606 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1394337 CHEMBL1794467 (1)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL1394337 CHEMBL1613910 (1)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL1394337 CHEMBL1614038 (1)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL1394337 CHEMBL1614240 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1394337 CHEMBL1614466 (1) CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL1394337 CHEMBL1614250 (1) CHEMBL1614421 (1)
CHEMBL1614502 (1)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL1394337 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1394337 CHEMBL1613914 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL1394337 CHEMBL1613829 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1394337 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL1394337 CHEMBL1614257 (1) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1394337 CHEMBL1614257 (1) CHEMBL1614531 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (16)

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
#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
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (21)

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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (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)
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)