KNApSAcK Metabolite C00042323
Metabolite
KNApSAcK Entry
| id | C00042323 |
|---|---|
| Name | Bufalin |
| CAS RN | 465-21-4 |
| Standard InChI | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 57 |
|---|---|
| KCF-S cluster | No. 434 |
Link
ChEMBL
| By standard InChI | CHEMBL399680 |
|---|---|
| By standard InChI Main Layer | CHEMBL399680 CHEMBL2069047 |
KEGG
| By LinkDB | C16922 |
|---|
CTD
| By CAS RN | C022777 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Cunninghamellaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cunninghamella blakesleana | 4852 | Cunninghamellaceae | Fungi |
Human Protein / Gene in interaction
CTD interaction (32)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C022777 | 5243 |
ABCB1
ABC20 CD243 CLCS GP170 MDR1 P-GP PGY1 |
ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) | bufalin inhibits the reaction [ABCB1 protein results in increased transport of quinidinium] |
decreases reaction
/ increases transport |
protein |
23104431
|
| C022777 | 596 |
BCL2
Bcl-2 PPP1R50 |
B-cell CLL/lymphoma 2 | bufalin results in decreased expression of BCL2 mRNA |
decreases expression
|
mRNA |
7658701
|
| C022777 | 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) | bufalin promotes the reaction [CYP3A4 protein results in increased metabolism of Midazolam] |
increases metabolic processing
/ increases reaction |
protein |
22178124
|
| C022777 | 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) | bufalin results in increased expression of and results in increased activity of CYP3A4 protein |
increases activity
/ increases expression |
protein |
22178124
|
| C022777 | 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) | bufalin results in increased expression of CYP3A4 mRNA |
increases expression
|
mRNA |
22178124
|
| C022777 | 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) | CYP3A4 protein results in increased metabolism of bufalin |
increases metabolic processing
|
protein |
22178124
|
| C022777 | 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) | Ketoconazole inhibits the reaction [CYP3A4 protein results in increased metabolism of bufalin] |
decreases reaction
/ increases metabolic processing |
protein |
22178124
|
| C022777 | 2353 |
FOS
AP-1 C-FOS p55 |
FBJ murine osteosarcoma viral oncogene homolog | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate inhibits the reaction [bufalin results in increased expression of FOS mRNA] |
decreases reaction
/ increases expression |
mRNA |
10712238
|
| C022777 | 2353 |
FOS
AP-1 C-FOS p55 |
FBJ murine osteosarcoma viral oncogene homolog | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one inhibits the reaction [bufalin results in increased expression of FOS mRNA] |
decreases reaction
/ increases expression |
mRNA |
10712238
|
| C022777 | 2353 |
FOS
AP-1 C-FOS p55 |
FBJ murine osteosarcoma viral oncogene homolog | bufalin results in increased expression of FOS mRNA |
increases expression
|
mRNA |
10712238
|
| C022777 | 3553 |
IL1B
IL-1 IL1-BETA IL1F2 |
interleukin 1, beta | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate inhibits the reaction [bufalin results in increased expression of IL1B mRNA] |
decreases reaction
/ increases expression |
mRNA |
10712238
|
| C022777 | 3553 |
IL1B
IL-1 IL1-BETA IL1F2 |
interleukin 1, beta | 2-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one inhibits the reaction [bufalin results in increased expression of IL1B mRNA] |
decreases reaction
/ increases expression |
mRNA |
10712238
|
| C022777 | 3553 |
IL1B
IL-1 IL1-BETA IL1F2 |
interleukin 1, beta | bufalin results in increased expression of IL1B mRNA |
increases expression
|
mRNA |
10712238
|
| C022777 | 3553 |
IL1B
IL-1 IL1-BETA IL1F2 |
interleukin 1, beta | Ro 31-8220 inhibits the reaction [bufalin results in increased expression of IL1B mRNA] |
decreases reaction
/ increases expression |
mRNA |
10712238
|
| C022777 | 3553 |
IL1B
IL-1 IL1-BETA IL1F2 |
interleukin 1, beta | SB 203580 promotes the reaction [bufalin results in increased expression of IL1B mRNA] |
increases expression
/ increases reaction |
mRNA |
10712238
|
| C022777 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate inhibits the reaction [bufalin results in increased phosphorylation of MAPK1 protein] |
decreases reaction
/ increases phosphorylation |
protein |
10712238
|
| C022777 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | bufalin results in decreased activity of MAPK1 protein |
decreases activity
|
protein |
21922632
|
| C022777 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | bufalin results in increased phosphorylation of MAPK1 protein |
increases phosphorylation
|
protein |
10712238
|
| C022777 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | Ro 31-8220 inhibits the reaction [bufalin results in increased phosphorylation of MAPK1 protein] |
decreases reaction
/ increases phosphorylation |
protein |
10712238
|
| C022777 | 5594 |
MAPK1
ERK ERK2 ERT1 MAPK2 P42MAPK PRKM1 PRKM2 p38 p40 p41 p41mapk |
mitogen-activated protein kinase 1 (EC:2.7.11.24) | SB 203580 promotes the reaction [bufalin results in increased phosphorylation of MAPK1 protein] |
increases phosphorylation
/ increases reaction |
protein |
10712238
|
| C022777 | 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) | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate inhibits the reaction [bufalin results in increased phosphorylation of MAPK3 protein] |
decreases reaction
/ increases phosphorylation |
protein |
10712238
|
| C022777 | 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) | bufalin results in decreased activity of MAPK3 protein |
decreases activity
|
protein |
21922632
|
| C022777 | 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) | bufalin results in increased phosphorylation of MAPK3 protein |
increases phosphorylation
|
protein |
10712238
|
| C022777 | 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) | Ro 31-8220 inhibits the reaction [bufalin results in increased phosphorylation of MAPK3 protein] |
decreases reaction
/ increases phosphorylation |
protein |
10712238
|
| C022777 | 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) | SB 203580 promotes the reaction [bufalin results in increased phosphorylation of MAPK3 protein] |
increases phosphorylation
/ increases reaction |
protein |
10712238
|
| C022777 | 5599 |
MAPK8
JNK JNK-46 JNK1 JNK1A2 JNK21B1/2 PRKM8 SAPK1 SAPK1c |
mitogen-activated protein kinase 8 (EC:2.7.11.24) | bufalin results in decreased activity of MAPK8 protein |
decreases activity
|
protein |
21922632
|
| C022777 | 5601 |
MAPK9
JNK-55 JNK2 JNK2A JNK2ALPHA JNK2B JNK2BETA PRKM9 SAPK SAPK1a p54a p54aSAPK |
mitogen-activated protein kinase 9 (EC:2.7.11.24) | bufalin results in decreased activity of MAPK9 protein |
decreases activity
|
protein |
21922632
|
| C022777 | 4313 |
MMP2
CLG4 CLG4A MMP-II MONA TBE-1 |
matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase) (EC:3.4.24.24) | bufalin results in decreased expression of and results in decreased activity of MMP2 protein |
decreases activity
/ decreases expression |
protein |
21922632
|
| C022777 | 4318 |
MMP9
CLG4B GELB MANDP2 MMP-9 |
matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) | bufalin results in decreased activity of MMP9 protein |
decreases activity
|
protein |
21922632
|
| C022777 | 4609 |
MYC
MRTL MYCC bHLHe39 c-Myc |
v-myc avian myelocytomatosis viral oncogene homolog | bufalin results in decreased expression of MYC mRNA |
decreases expression
|
mRNA |
7658701
|
| C022777 | 7124 |
TNF
DIF TNF-alpha TNFA TNFSF2 |
tumor necrosis factor | bufalin results in increased expression of TNF mRNA |
increases expression
|
mRNA |
10712238
|
| C022777 | 7124 |
TNF
DIF TNF-alpha TNFA TNFSF2 |
tumor necrosis factor | SB 203580 promotes the reaction [bufalin results in increased expression of TNF mRNA] |
increases expression
/ increases reaction |
mRNA |
10712238
|