KNApSAcK Metabolite C00029648
Metabolite
KNApSAcK Entry
| id | C00029648 |
|---|---|
| Name | Agosterol A |
| CAS RN | 213549-32-7 |
| Standard InChI | InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3/t18-,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C33H52O8/c1-17(2)9-12-25(37)18(3)23-10-11-24-22-15-28(40-20(5)35)30-31(41-21(6)36)27(39-19(4)34)13-14-32(30,7)29(22)26(38)16-33(23,24)8/h15,17-18,23-31,37-38H,9-14,16H2,1-8H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 868 |
Link
ChEMBL
| By standard InChI | CHEMBL82446 |
|---|---|
| By standard InChI Main Layer | CHEMBL82446 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Acanthodendrilla sp. | ||||
| Spongia sp. |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q96QA9 | Multidrug resistance associated protein | Unclassified protein | CHEMBL82446 |
CHEMBL2076969
(1)
|
0 / 0 |