KNApSAcK Metabolite C00003458
Metabolite
KNApSAcK Entry
| id | C00003458 |
|---|---|
| Name | Neocembrene |
| CAS RN | 31570-39-5 |
| Standard InChI | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3/b17-8+,18-12+,19-11+/t20-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,20H,1,6-7,9-10,13-15H2,2-5H3 |
Cluster
| Phytochemical cluster | No. 42 |
|---|---|
| KCF-S cluster | No. 1048 |
Link
ChEMBL
| By standard InChI | CHEMBL518765 |
|---|---|
| By standard InChI Main Layer | CHEMBL518765 |
KEGG
| By LinkDB | C09140 |
|---|
CTD
| By CAS RN | C108204 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 2 |
Family
| family name | count |
|---|---|
| Pinaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Picea koraiensis | 308680 | Pinaceae | Spermatophyta | Viridiplantae |
| Picea obovata | 331118 | Pinaceae | Spermatophyta | 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 | CHEMBL518765 |
CHEMBL1026212
(1)
CHEMBL1026996
(1)
|
0 / 0 |