KNApSAcK Metabolite C00009109
Metabolite
KNApSAcK Entry
| id | C00009109 |
|---|---|
| Name | [Epicatechin-(4beta->8)]4-epicatechin |
| CAS RN | 86631-39-2 |
| Standard InChI | InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2 |
Cluster
| Phytochemical cluster | No. 19 |
|---|---|
| KCF-S cluster | No. 113 |
Link
ChEMBL
| By standard InChI | CHEMBL592373 |
|---|---|
| By standard InChI Main Layer | CHEMBL592373 |
KEGG
| By LinkDB | C17626 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Magnoliophyta | 1 |
| Spermatophyta | 1 |
| rosids | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Cinnamomum cassia | 119260 | Lauraceae | Magnoliophyta | Viridiplantae |
| Pseudotsuga menziesii | 3357 | Pinaceae | Spermatophyta | Viridiplantae |
| Rhaphiolepis umbellata | 398295 | Rosaceae | 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 | CHEMBL592373 |
CHEMBL1066259
(1)
|
2 / 2 |
| P08253 | 72 kDa type IV collagenase | M10A | CHEMBL592373 |
CHEMBL1066258
(1)
|
1 / 3 |