KNApSAcK Metabolite C00011692
Metabolite
KNApSAcK Entry
| id | C00011692 |
|---|---|
| Name | Isocespitol / Isocaespitol / [2R-[2a(1S*,3R*,4R*),3alpha,5beta]]- 5-Bromo-2-(4-bromo-3-chloro-4-methylcyclohexyl)tetrahydro-2,6,6-trimethyl-2H-pyran-3-ol |
| CAS RN | 53915-39-2 |
| Standard InChI | InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3/t9-,10+,11+,12+,14+,15+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C15H25Br2ClO2/c1-13(2)10(16)8-12(19)15(4,20-13)9-5-6-14(3,17)11(18)7-9/h9-12,19H,5-8H2,1-4H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1493 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1088006 |
KEGG
| By LinkDB | C17112 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Liliopsida | 1 |
Family
| family name | count |
|---|---|
| Acoraceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Acorus calamus | 4465 | Acoraceae | Liliopsida | Viridiplantae |
| Laurencia caespitosa |