KNApSAcK Metabolite C00012596
Metabolite
KNApSAcK Entry
| id | C00012596 |
|---|---|
| Name | Baccharinol / Baccharin B4 / Baccharinol B4 / Baccharinoid B 4 / (2'S,3'R,4'S,7'R,8R)-7'-Deoxo-2'-deoxy-2',3'-epoxy-4',8-dihydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A |
| CAS RN | 63783-94-8 |
| Standard InChI | InChI=1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3/b7-5+,8-6+ |
| Standard InChI (Main Layer) | InChI=1S/C29H38O11/c1-15-9-21-28(11-17(15)31)13-36-25(34)24-26(3,40-24)19(32)12-35-18(16(2)30)7-5-6-8-23(33)39-20-10-22(38-21)29(14-37-29)27(20,28)4/h5-9,16-22,24,30-32H,10-14H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 84 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL312642 CHEMBL1079024 CHEMBL1717693 CHEMBL2005036 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C060338 |
|---|
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) |
|---|---|---|---|---|---|
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL1717693 |
CHEMBL2114784
(1)
|
1 / 1 |
| P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | CHEMBL1717693 |
CHEMBL1794584
(1)
|
2 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL1717693 |
CHEMBL1738184
(1)
|
0 / 0 |
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | CHEMBL1717693 |
CHEMBL2354311
(1)
|
1 / 0 |