KNApSAcK Metabolite C00012584
Metabolite
KNApSAcK Entry
| id | C00012584 |
|---|---|
| Name | Isobaccharol / Baccharin B2 / Baccharinoid B 2 / [4'R,7'R(S),8R]-7'-Deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A |
| CAS RN | 71748-64-6 |
| Standard InChI | InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6+ |
| Standard InChI (Main Layer) | InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 84 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL502599 CHEMBL503561 CHEMBL1079019 CHEMBL1079020 CHEMBL1724428 CHEMBL1967710 CHEMBL2003627 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Baccharis megapotamica | 41487 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1724428 |
CHEMBL1794401
(1)
|
0 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL1724428 |
CHEMBL1738184
(1)
|
0 / 0 |
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | CHEMBL1724428 |
CHEMBL2354311
(1)
|
1 / 0 |
| Q13148 | TAR DNA-binding protein 43 | Unclassified protein | CHEMBL1724428 |
CHEMBL2354287
(1)
|
1 / 1 |