KNApSAcK Metabolite C00009086
Metabolite
KNApSAcK Entry
| id | C00009086 |
|---|---|
| Name | Epicatechin-(4beta->6)-epicatechin-(4beta->8)-catechin |
| CAS RN | 82801-35-2 |
| Standard InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40+,41+,42+,43+,44+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)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 | |
|---|---|
| By standard InChI Main Layer | CHEMBL592228 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 4 |
| Liliopsida | 2 |
| Magnoliophyta | 1 |
| Spermatophyta | 1 |
Family
| family name | count |
|---|---|
| Arecaceae | 1 |
| Betulaceae | 1 |
| Dioscoreaceae | 1 |
| Schisandraceae | 1 |
| Rhizophoraceae | 1 |
| Pinaceae | 1 |
| Salicaceae | 1 |
| Vitaceae | 1 |
List (8)
* NCBI
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 | CHEMBL592228 |
CHEMBL1066259
(1)
|
2 / 2 |
| P08253 | 72 kDa type IV collagenase | M10A | CHEMBL592228 |
CHEMBL1066258
(1)
|
1 / 3 |