KNApSAcK Metabolite C00003894
Metabolite
KNApSAcK Entry
| id | C00003894 |
|---|---|
| Name | Eupatorin / 3',5-Dihydroxy-4',6,7-trimethoxyflavone / 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one |
| CAS RN | 855-96-9 |
| Standard InChI | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 |
| Standard InChI (Main Layer) | InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 3 |
Link
ChEMBL
| By standard InChI | CHEMBL487402 |
|---|---|
| By standard InChI Main Layer | CHEMBL487402 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C103110 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 28 |
Family
| family name | count |
|---|---|
| Lamiaceae | 16 |
| Asteraceae | 9 |
| Verbenaceae | 2 |
| Apiaceae | 1 |
List (29)
* NCBI
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| O14965 | Aurora kinase A | Aur | CHEMBL487402 |
CHEMBL1963727
(1)
|
0 / 0 |
| P04798 | Cytochrome P450 1A1 | Cytochrome P450 1A1 | CHEMBL487402 |
CHEMBL1780345
(1)
CHEMBL1780385
(1)
|
0 / 0 |
| Q16678 | Cytochrome P450 1B1 | Cytochrome P450 1B1 | CHEMBL487402 |
CHEMBL1780346
(1)
|
4 / 4 |
| Q96GD4 | Aurora kinase B | Aur | CHEMBL487402 |
CHEMBL1963807
(1)
|
0 / 0 |
| P35968 | Vascular endothelial growth factor receptor 2 | Vegfr | CHEMBL487402 |
CHEMBL1963788
(1)
|
1 / 0 |
CTD interaction (10)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C103110 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | CYP1A1 protein results in increased metabolism of eupatorin analog |
increases metabolic processing
|
protein |
21482471
|
| C103110 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | CYP1A1 protein results in increased susceptibility to eupatorin |
increases response to substance
|
protein |
18454852
|
| C103110 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | eupatorin analog results in decreased activity of CYP1A1 protein |
decreases activity
|
protein |
21482471
|
| C103110 | 1543 |
CYP1A1
AHH AHRR CP11 CYP1 P1-450 P450-C P450DX |
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) | eupatorin results in increased expression of CYP1A1 mRNA |
increases expression
|
mRNA |
19601638
|
| C103110 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | CYP1B1 protein results in increased metabolism of eupatorin analog |
increases metabolic processing
|
protein |
21482471
|
| C103110 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | eupatorin results in decreased activity of CYP1B1 protein |
decreases activity
|
protein |
21482471
|
| C103110 | 1545 |
CYP1B1
CP1B CYPIB1 GLC3A P4501B1 |
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) | eupatorin results in increased expression of CYP1B1 mRNA |
increases expression
|
mRNA |
19601638
|
| C103110 | 1557 |
CYP2C19
CPCJ CYP2C P450C2C P450IIC19 |
cytochrome P450, family 2, subfamily C, polypeptide 19 (EC:1.14.13.48 1.14.13.49 1.14.13.80) | eupatorin results in decreased activity of CYP2C19 protein |
decreases activity
|
protein |
21093571
|
| C103110 | 1565 |
CYP2D6
CPD6 CYP2D CYP2D7AP CYP2D7BP CYP2D7P2 CYP2D8P2 CYP2DL1 CYPIID6 P450-DB1 P450C2D P450DB1 |
cytochrome P450, family 2, subfamily D, polypeptide 6 (EC:1.14.14.1) | eupatorin results in decreased activity of CYP2D6 protein |
decreases activity
|
protein |
21276781
|
| C103110 | 1576 |
CYP3A4
CP33 CP34 CYP3A CYP3A3 CYPIIIA3 CYPIIIA4 HLP NF-25 P450C3 P450PCN1 |
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) | eupatorin results in decreased activity of CYP3A4 protein |
decreases activity
|
protein |
21276781
|