KNApSAcK Metabolite C00041561
Metabolite
KNApSAcK Entry
| id | C00041561 |
|---|---|
| Name | Gomisin A |
| CAS RN | 58546-54-6 |
| Standard InChI | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3 |
| Standard InChI (Main Layer) | InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 21 |
|---|---|
| KCF-S cluster | No. 105 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL403578 CHEMBL1159658 CHEMBL1834755 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C033585 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Magnoliophyta | 2 |
Family
| family name | count |
|---|---|
| Schisandraceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Kadsura interior | 105749 | Schisandraceae | Magnoliophyta | Viridiplantae |
| Schisandra chinensis | 50507 | Schisandraceae | Magnoliophyta | Viridiplantae |
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P33527 | Multidrug resistance-associated protein 1 | drugs | CHEMBL1159658 |
CHEMBL2077105
(1)
CHEMBL2077106
(1)
CHEMBL2077107 (1) CHEMBL2077108 (1) CHEMBL2077109 (1) CHEMBL2077838 (1) |
0 / 0 |
| P09917 | Arachidonate 5-lipoxygenase | Oxidoreductase | CHEMBL1159658 |
CHEMBL1103472
(1)
|
0 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL403578 |
CHEMBL2114780
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL403578 |
CHEMBL1794401
(1)
|
0 / 0 |
| P46063 | ATP-dependent DNA helicase Q1 | Enzyme | CHEMBL403578 |
CHEMBL1613829
(1)
|
0 / 0 |
CTD interaction (2)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C033585 | 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) | schizandrol B results in increased expression of CYP3A4 mRNA |
increases expression
|
mRNA |
16267138
|
| C033585 | 8856 |
NR1I2
BXR ONR1 PAR PAR1 PAR2 PARq PRR PXR SAR SXR |
nuclear receptor subfamily 1, group I, member 2 | schizandrol B binds to and results in increased activity of NR1I2 protein |
affects binding
/ increases activity |
protein |
16267138
|