KNApSAcK Metabolite C00002911
Metabolite
KNApSAcK Entry
| id | C00002911 |
|---|---|
| Name | Chebulagic acid |
| CAS RN | 23094-71-5 |
| Standard InChI | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18?,22-,30-,31+,33-,34?,41-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48) |
Cluster
| Phytochemical cluster | No. 81 |
|---|---|
| KCF-S cluster | No. 226 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL525240 CHEMBL1970427 |
KEGG
| By LinkDB | C10214 |
|---|
CTD
| By CAS RN | C076178 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 4 |
Family
| family name | count |
|---|---|
| Fabaceae | 1 |
| Phyllanthaceae | 1 |
| Combretaceae | 1 |
| Cunoniaceae | 1 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Caesalpinia coriana | 53845 | Fabaceae | rosids | Viridiplantae |
| Cunonia macrophylla | 140420 | Cunoniaceae | rosids | Viridiplantae |
| Phyllanthus emblica | 296036 | Phyllanthaceae | rosids | Viridiplantae |
| Terminalia chebula | 155022 | Combretaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
12 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL525240 |
CHEMBL956189
(1)
CHEMBL956190
(1)
|
0 / 0 |
| Q05513 | Protein kinase C zeta type | Iota | CHEMBL525240 |
CHEMBL769344
(1)
|
0 / 0 |
| Q04759 | Protein kinase C theta type | Delta | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 1 |
| Q02156 | Protein kinase C epsilon type | Eta | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |
| O94806 | Serine/threonine-protein kinase D3 | Pkd | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |
| P17252 | Protein kinase C alpha type | Alpha | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |
| Q05655 | Protein kinase C delta type | Delta | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |
| P05129 | Protein kinase C gamma type | Alpha | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
1 / 1 |
| P05771 | Protein kinase C beta type | Alpha | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |
| P24723 | Protein kinase C eta type | Eta | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
1 / 0 |
| P41743 | Protein kinase C iota type | Iota | CHEMBL525240 |
CHEMBL769344
(1)
|
0 / 0 |
| Q15139 | Serine/threonine-protein kinase D1 | Pkd | CHEMBL525240 |
CHEMBL769344
(1)
CHEMBL768505
(1)
|
0 / 0 |