KNApSAcK Metabolite C00000316
Metabolite
KNApSAcK Entry
| id | C00000316 |
|---|---|
| Name | 4,8,13-Duratriene-1,3-diol / 2,7,11-Cembratrien-4,6-diol |
| CAS RN | 57605-80-8 |
| Standard InChI | InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13-/t18-,19+,20-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 42 |
|---|---|
| KCF-S cluster | No. 3050 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL404253 CHEMBL405787 CHEMBL564595 CHEMBL564868 |
KEGG
| By LinkDB | C09072 |
|---|
CTD
| By CAS RN | C046139 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Solanaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Nicotiana sylvestris | 4096 | Solanaceae | asterids | Viridiplantae |
| Nicotiana tabacum | 4097 | Solanaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P04054 | Phospholipase A2 | Enzyme | CHEMBL564595 CHEMBL564868 |
CHEMBL1026212
(2)
CHEMBL1026996
(2)
|
0 / 0 |