KNApSAcK Metabolite C00039170
Metabolite
KNApSAcK Entry
| id | C00039170 |
|---|---|
| Name | Esculentoside M |
| CAS RN | 140364-79-0 |
| Standard InChI | InChI=1S/C48H74O22/c1-43(41(62)64-6)9-11-48(42(63)70-40-35(61)32(58)29(55)25(17-50)67-40)12-10-46(4)20(21(48)14-43)13-22(52)36-44(2)15-23(53)37(45(3,19-51)27(44)7-8-47(36,46)5)69-38-33(59)30(56)26(18-65-38)68-39-34(60)31(57)28(54)24(16-49)66-39/h13,21,23-40,49-51,53-61H,7-12,14-19H2,1-6H3 |
| Standard InChI (Main Layer) | InChI=1S/C48H74O22/c1-43(41(62)64-6)9-11-48(42(63)70-40-35(61)32(58)29(55)25(17-50)67-40)12-10-46(4)20(21(48)14-43)13-22(52)36-44(2)15-23(53)37(45(3,19-51)27(44)7-8-47(36,46)5)69-38-33(59)30(56)26(18-65-38)68-39-34(60)31(57)28(54)24(16-49)66-39/h13,21,23-40,49-51,53-61H,7-12,14-19H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 9 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL412721 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C072886 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Phytolaccaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Phytolacca americana | 3527 | Phytolaccaceae | 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) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL412721 |
CHEMBL923458
(1)
CHEMBL923459
(1)
CHEMBL923460 (1) |
1 / 0 |