KNApSAcK Metabolite C00000583
Metabolite
KNApSAcK Entry
| id | C00000583 |
|---|---|
| Name | Isopimpinellin |
| CAS RN | 482-27-9 |
| Standard InChI | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
| Standard InChI (Main Layer) | InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3 |
Cluster
| Phytochemical cluster | No. 25 |
|---|---|
| KCF-S cluster | No. 606 |
Link
ChEMBL
| By standard InChI | CHEMBL140796 |
|---|---|
| By standard InChI Main Layer | CHEMBL140796 |
KEGG
| By LinkDB | C02162 |
|---|
CTD
| By CAS RN | C015304 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Apiaceae | 26 |
| Moraceae | 13 |
| Rutaceae | 9 |
| Asteraceae | 1 |
| Fabaceae | 1 |
List (50)
* NCBI
Human Protein / Gene in interaction
9 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P06746 | DNA polymerase beta | Enzyme | CHEMBL140796 |
CHEMBL1614079
(1)
|
0 / 0 |
| Q92830 | Histone acetyltransferase KAT2A | Enzyme | CHEMBL140796 |
CHEMBL1738606
(1)
|
0 / 0 |
| P56817 | Beta-secretase 1 | A1A | CHEMBL140796 |
CHEMBL1936881
(1)
CHEMBL1936882
(1)
|
0 / 0 |
| P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | Enzyme | CHEMBL140796 |
CHEMBL1614038
(1)
|
2 / 2 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL140796 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL140796 |
CHEMBL1614211
(1)
|
0 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL140796 |
CHEMBL1738184
(1)
|
0 / 0 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | CHEMBL140796 |
CHEMBL1613914
(1)
|
0 / 0 |
| Q13148 | TAR DNA-binding protein 43 | Unclassified protein | CHEMBL140796 |
CHEMBL2354287
(1)
|
1 / 1 |
CTD interaction (4)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C015304 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | isopimpinellin inhibits the reaction [CYP1B1 protein results in increased oxidation of benzo(a)pyrene 7,8-dihydrodiol] |
decreases reaction
/ increases oxidation |
protein |
15861043
|
| C015304 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | isopimpinellin results in decreased activity of CYP1B1 protein |
decreases activity
|
protein |
15861043
|
| C015304 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | isopimpinellin results in decreased activity of CYP1B1 protein polymorphism |
decreases activity
|
protein |
15861043
|
| C015304 | 8856 |
NR1I2
BXR ONR1 PAR PAR1 PAR2 PARq PRR PXR SAR SXR |
nuclear receptor subfamily 1, group I, member 2 | isopimpinellin results in increased activity of NR1I2 protein |
increases activity
|
protein |
18692084
|