KNApSAcK Metabolite C00029495
Metabolite
KNApSAcK Entry
| id | C00029495 |
|---|---|
| Name | 3-Epipomolic acid |
| CAS RN | 119067-01-5 |
| Standard InChI | InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33)/t18-,20+,21-,22-,23-,26+,27-,28-,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h8,18,20-23,31,34H,9-17H2,1-7H3,(H,32,33) |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 13 |
Link
ChEMBL
| By standard InChI | CHEMBL464567 |
|---|---|
| By standard InChI Main Layer | CHEMBL486986 CHEMBL464567 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Gesneriaceae | 1 |
| Boraginaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Conandron ramondioides Sieb.et Zucc. | 121478 | Gesneriaceae | asterids | Viridiplantae |
| Cordia multispicata | 79331 | Boraginaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P18031 | Tyrosine-protein phosphatase non-receptor type 1 | Tyr | CHEMBL486986 |
CHEMBL1036591
(1)
|
0 / 0 |
| P08047 | Transcription factor Sp1 | Unclassified protein | CHEMBL486986 |
CHEMBL1058704
(1)
|
0 / 0 |