KNApSAcK Metabolite C00049769
Metabolite
KNApSAcK Entry
| id | C00049769 |
|---|---|
| Name | 12-epi-Scalarin |
| CAS RN | 64825-79-2 |
| Standard InChI | InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3/t17-,18-,19+,20+,21+,23+,25-,26-,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H40O5/c1-15(28)31-20-14-19-25(4)12-7-11-24(2,3)17(25)10-13-26(19,5)18-9-8-16-21(27(18,20)6)23(30)32-22(16)29/h8,17-21,23,30H,7,9-14H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 140 |
Link
ChEMBL
| By standard InChI | CHEMBL269105 |
|---|---|
| By standard InChI Main Layer | CHEMBL269105 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Spongiidae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Spongia agaricina | 121490 | Spongiidae | Metazoa |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL269105 |
CHEMBL943880
(1)
CHEMBL943882
(1)
|
0 / 0 |