KNApSAcK Metabolite C00009090
Metabolite
KNApSAcK Entry
| id | C00009090 |
|---|---|
| Name | Epicatechin-(4beta->8)-epicatechin-(4beta->6)-epicatechin |
| CAS RN | 88903-74-6 |
| Standard InChI | InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 29 |
Link
ChEMBL
| By standard InChI | CHEMBL592329 |
|---|---|
| By standard InChI Main Layer | CHEMBL592329 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 4 |
| Euphyllophyta | 2 |
Family
| family name | count |
|---|---|
| Rosaceae | 3 |
| Davalliaceae | 2 |
| Vitaceae | 1 |
List (6)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Crataegus laevigata | 298643 | Rosaceae | rosids | Viridiplantae |
| Davallia divaricata | 328196 | Davalliaceae | Euphyllophyta | Viridiplantae |
| Davallia mariesii | 29639 | Davalliaceae | Euphyllophyta | Viridiplantae |
| Malus pumila | 283210 | Rosaceae | rosids | Viridiplantae |
| Rhaphiolepis umbellata | 398295 | Rosaceae | rosids | Viridiplantae |
| Vitis vinifera | 29760 | Vitaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P14780 | Matrix metalloproteinase-9 | M10A | CHEMBL592329 |
CHEMBL1066259
(1)
|
2 / 2 |
| P08253 | 72 kDa type IV collagenase | M10A | CHEMBL592329 |
CHEMBL1066258
(1)
|
1 / 3 |