KNApSAcK Metabolite C00032620
Metabolite
KNApSAcK Entry
| id | C00032620 |
|---|---|
| Name | 23-O-Acetylshengmanol 3-O-beta-D-xylopyranoside / (-)-23-O-Acetylshengmanol 3-O-beta-D-xylopyranoside |
| CAS RN | 372096-69-0 |
| Standard InChI | InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30-,31+,34-,35-,36-,37+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 82 |
Link
ChEMBL
| By standard InChI | CHEMBL1651282 |
|---|---|
| By standard InChI Main Layer | CHEMBL1651282 CHEMBL2004175 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Ranunculaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cimicifuga racemosa | 64040 | Ranunculaceae | eudicotyledons | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P03372 | Estrogen receptor | NR3A1 | CHEMBL1651282 |
CHEMBL911660
(1)
|
1 / 1 |