KNApSAcK Metabolite C00001024
Metabolite
KNApSAcK Entry
| id | C00001024 |
|---|---|
| Name | Baicalin / Baicalein 7-glucuronide |
| CAS RN | 21967-41-9 |
| Standard InChI | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18?,19?,21+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 2 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL485818 CHEMBL1447301 |
KEGG
| By LinkDB | C10025 |
|---|
CTD
| By CAS RN | C038044 |
|---|
Species
Summary
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Rubia yunnanensis | 25473 | Rubiaceae | asterids | Viridiplantae |
| Scutellaria baicalensis | 65409 | Lamiaceae | asterids | Viridiplantae |
| Scutellaria lateriflora | 233893 | Lamiaceae | asterids | Viridiplantae |
| Scutellaria oreophila | 4139 | Lamiaceae | asterids | Viridiplantae |
| Sideritis baicalensis | 155231 | Lamiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
41 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q9Y6L6 | Solute carrier organic anion transporter family member 1B1 | Electrochemical transporter | CHEMBL485818 |
CHEMBL2169429
(1)
|
1 / 0 |
| O94956 | Solute carrier organic anion transporter family member 2B1 | Unclassified protein | CHEMBL485818 |
CHEMBL2169431
(1)
|
0 / 0 |
| P06746 | DNA polymerase beta | Enzyme | CHEMBL1447301 |
CHEMBL1614079
(1)
|
0 / 0 |
| P10253 | Lysosomal alpha-glucosidase | Hydrolase | CHEMBL1447301 |
CHEMBL1614076
(1)
|
1 / 1 |
| Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Enzyme | CHEMBL1447301 |
CHEMBL1794585
(1)
|
0 / 0 |
| P34969 | 5-hydroxytryptamine receptor 7 | Serotonin receptor | CHEMBL485818 |
CHEMBL991220
(1)
|
0 / 0 |
| P06493 | Cyclin-dependent kinase 1 | Cdc2 | CHEMBL485818 |
CHEMBL975428
(1)
|
0 / 0 |
| Q9NR56 | Muscleblind-like protein 1 | Unclassified protein | CHEMBL1447301 |
CHEMBL1614166
(1)
|
1 / 0 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1447301 |
CHEMBL1614458
(1)
|
0 / 0 |
| P39748 | Flap endonuclease 1 | Enzyme | CHEMBL1447301 |
CHEMBL1794486
(1)
|
0 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL1447301 |
CHEMBL2114843
(1)
CHEMBL2114780
(1)
|
0 / 0 |
| P27487 | Dipeptidyl peptidase 4 | S9B | CHEMBL485818 |
CHEMBL974554
(1)
|
0 / 1 |
| Q9NPD5 | Solute carrier organic anion transporter family member 1B3 | Electrochemical transporter | CHEMBL485818 |
CHEMBL2169430
(1)
|
1 / 0 |
| Q92887 | Canalicular multispecific organic anion transporter 1 | Unclassified protein | CHEMBL485818 |
CHEMBL1006005
(1)
|
1 / 1 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL1447301 |
CHEMBL1614038
(1)
|
2 / 2 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | CHEMBL1447301 |
CHEMBL1738588
(1)
|
0 / 0 |
| P03372 | Estrogen receptor | NR3A1 | CHEMBL485818 |
CHEMBL1941568
(1)
CHEMBL1941569
(1)
|
1 / 1 |
| Q9UNA4 | DNA polymerase iota | Enzyme | CHEMBL1447301 |
CHEMBL1794483
(1)
|
0 / 0 |
| O75164 | Lysine-specific demethylase 4A | Enzyme | CHEMBL1447301 |
CHEMBL1737991
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1447301 |
CHEMBL1614421
(1)
|
4 / 3 |
| P48147 | Prolyl endopeptidase | S9A | CHEMBL485818 |
CHEMBL974553
(1)
CHEMBL974555
(1)
CHEMBL974556 (1) CHEMBL974557 (1) CHEMBL974558 (1) CHEMBL974559 (1) CHEMBL974560 (1) CHEMBL1110126 (1) |
0 / 0 |
| Q9UBT6 | DNA polymerase kappa | Enzyme | CHEMBL1447301 |
CHEMBL1794536
(1)
|
0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL1447301 |
CHEMBL1738442
(1)
|
0 / 0 |
| O00255 | Menin | Unclassified protein | CHEMBL1447301 |
CHEMBL1614257
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1447301 |
CHEMBL1614257
(1)
|
1 / 3 |
| Q9UN88 | Gamma-aminobutyric acid receptor subunit theta | GABA-A theta | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P28472 | Gamma-aminobutyric acid receptor subunit beta-3 | GABA-A beta | CHEMBL485818 |
CHEMBL877825
(1)
|
1 / 0 |
| P14867 | Gamma-aminobutyric acid receptor subunit alpha-1 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
1 / 1 |
| P48169 | Gamma-aminobutyric acid receptor subunit alpha-4 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| O14764 | Gamma-aminobutyric acid receptor subunit delta | GABA-A delta | CHEMBL485818 |
CHEMBL877825
(1)
|
1 / 1 |
| P31644 | Gamma-aminobutyric acid receptor subunit alpha-5 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| Q99928 | Gamma-aminobutyric acid receptor subunit gamma-3 | GABA-A gamma | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P78334 | Gamma-aminobutyric acid receptor subunit epsilon | GABA-A epsilon | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| Q8N1C3 | Gamma-aminobutyric acid receptor subunit gamma-1 | GABA-A gamma | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P34903 | Gamma-aminobutyric acid receptor subunit alpha-3 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| O00591 | Gamma-aminobutyric acid receptor subunit pi | GABA-A pi | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P47870 | Gamma-aminobutyric acid receptor subunit beta-2 | GABA-A beta | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P18507 | Gamma-aminobutyric acid receptor subunit gamma-2 | GABA-A gamma | CHEMBL485818 |
CHEMBL877825
(1)
|
4 / 2 |
| P18505 | Gamma-aminobutyric acid receptor subunit beta-1 | GABA-A beta | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| Q16445 | Gamma-aminobutyric acid receptor subunit alpha-6 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
0 / 0 |
| P47869 | Gamma-aminobutyric acid receptor subunit alpha-2 | GABA-A alpha | CHEMBL485818 |
CHEMBL877825
(1)
|
1 / 0 |
CTD interaction (15)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C038044 | 581 |
BAX
BCL2L4 |
BCL2-associated X protein | baicalin results in increased expression of BAX protein |
increases expression
|
protein |
21457722
|
| C038044 | 890 |
CCNA2
CCN1 CCNA |
cyclin A2 | baicalin results in decreased expression of CCNA2 protein |
decreases expression
|
protein |
21457722
|
| C038044 | 595 |
CCND1
BCL1 D11S287E PRAD1 U21B31 |
cyclin D1 | baicalin results in decreased expression of CCND1 protein |
decreases expression
|
protein |
21457722
|
| C038044 | 595 |
CCND1
BCL1 D11S287E PRAD1 U21B31 |
cyclin D1 | baicalin results in increased expression of CCND1 mRNA |
increases expression
|
mRNA |
19160421
|
| C038044 | 595 |
CCND1
BCL1 D11S287E PRAD1 U21B31 |
cyclin D1 | N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester inhibits the reaction [baicalin results in increased expression of CCND1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
19160421
|
| C038044 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | baicalin inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of CYP1A1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
18451504
|
| C038044 | 3280 |
HES1
HES-1 HHL HRY bHLHb39 |
hes family bHLH transcription factor 1 | baicalin results in increased expression of HES1 mRNA |
increases expression
|
mRNA |
19160421
|
| C038044 | 3280 |
HES1
HES-1 HHL HRY bHLHb39 |
hes family bHLH transcription factor 1 | N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester inhibits the reaction [baicalin results in increased expression of HES1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
19160421
|
| C038044 | 23462 |
HEY1
BHLHb31 CHF2 HERP2 HESR1 HRT-1 OAF1 hHRT1 |
hes-related family bHLH transcription factor with YRPW motif 1 | baicalin results in increased expression of HEY1 mRNA |
increases expression
|
mRNA |
19160421
|
| C038044 | 23462 |
HEY1
BHLHb31 CHF2 HERP2 HESR1 HRT-1 OAF1 hHRT1 |
hes-related family bHLH transcription factor with YRPW motif 1 | N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester inhibits the reaction [baicalin results in increased expression of HEY1 mRNA] |
decreases reaction
/ increases expression |
mRNA |
19160421
|
| C038044 | 23493 |
HEY2
CHF1 GRIDLOCK GRL HERP1 HESR2 HRT2 bHLHb32 |
hes-related family bHLH transcription factor with YRPW motif 2 | baicalin results in increased expression of HEY2 mRNA |
increases expression
|
mRNA |
19160421
|
| C038044 | 23493 |
HEY2
CHF1 GRIDLOCK GRL HERP1 HESR2 HRT2 bHLHb32 |
hes-related family bHLH transcription factor with YRPW motif 2 | N-(N-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester inhibits the reaction [baicalin results in increased expression of HEY2 mRNA] |
decreases reaction
/ increases expression |
mRNA |
19160421
|
| C038044 | 4851 |
NOTCH1
TAN1 hN1 |
notch 1 | baicalin results in increased activity of NOTCH1 protein |
increases activity
|
protein |
19160421
|
| C038044 | 4851 |
NOTCH1
TAN1 hN1 |
notch 1 | baicalin results in increased expression of NOTCH1 mRNA |
increases expression
|
mRNA |
19160421
|
| C038044 | 7157 |
TP53
BCC7 LFS1 P53 TRP53 |
tumor protein p53 | baicalin results in increased expression of TP53 protein |
increases expression
|
protein |
21457722
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (22)
| OMIM | preferred title | UniProt |
|---|---|---|
| #103780 | Alcohol dependence |
P47869
|
| #119900 | Digital clubbing, isolated congenital |
P15428
|
| #607208 | Dravet syndrome |
P18507
|
| #237500 | Dubin-johnson syndrome; djs |
Q92887
|
| #607681 | Epilepsy, childhood absence, susceptibility to, 2; eca2 |
P18507
|
| #612269 | Epilepsy, childhood absence, susceptibility to, 5; eca5 |
P28472
|
| #613060 | Epilepsy, idiopathic generalized, susceptibility to, 10; eig10 |
O14764
|
| #611136 | Epilepsy, juvenile myoclonic, susceptibility to, 5; ejm5 |
P14867
|
| #615363 | Estrogen resistance; estrr |
P03372
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #604233 | Generalized epilepsy with febrile seizures plus, type 1; gefsp1 |
P18507
|
| #611277 | Generalized epilepsy with febrile seizures plus, type 3; gefsp3 |
P18507
|
| #232300 | Glycogen storage disease ii |
P10253
|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #237450 | Hyperbilirubinemia, rotor type; hblrr |
Q9NPD5
Q9Y6L6 |
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #259100 | Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 |
P15428
|
| #131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
| #160900 | Myotonic dystrophy 1; dm1 |
Q9NR56
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
KEGG DISEASE (18)
| 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)
|
| H00783 | Febrile seizures |
O14764
(related)
P18507 (related) |
| H00026 | Endometrial Cancer |
P03372
(marker)
|
| H00069 | Glycogen storage diseases (GSD) |
P10253
(related)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00808 | Idiopathic generalized epilepsies (IGEs) |
P14867
(related)
P18507 (related) |
| H00457 | Primary hypertrophic osteoarthropathy (PHO) |
P15428
(related)
|
| H01246 | Isolated congenital nail clubbing (ICNC) |
P15428
(related)
|
| H00032 | Thyroid cancer |
P27487
(marker)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q03164
(related)
Q03164 (marker) |
| H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(related)
|
| H00208 | Hyperbilirubinemia |
Q92887
(related)
|
Diseases related to CTD interactions
7 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D002545 | C038044 | Brain Ischemia |
therapeutic
|
21600966
|
|
| D005355 | C038044 | Fibrosis |
therapeutic
|
19474275
|
|
| D007249 | C038044 | Inflammation |
therapeutic
|
22019745
|
|
| D008106 | C038044 | Liver Cirrhosis, Experimental |
therapeutic
|
18187930
|
|
| D008107 | C038044 | Liver Diseases |
therapeutic
|
22019745
|
|
| D011471 | C038044 | Prostatic Neoplasms |
therapeutic
|
15714805
|
|
| D015427 | C038044 | Reperfusion Injury |
therapeutic
|
22019745
|