KNApSAcK Metabolite C00002873
Metabolite
KNApSAcK Entry
| id | C00002873 |
|---|---|
| Name | Canaliculatol / [2R-(2alpha,2aalpha,7alpha,7aalpha,12alpha,12abeta)]-2,2a,7,7a,12,12a-Hexahydro-2,7,12-tris(4-hydroxyphenyl)-benz[7,8]indeno[2',1':4,5]cycloocta[1,2,3-cd]benzofuran-4,6,9,11,14-pentol |
| CAS RN | 114488-83-4 |
| Standard InChI | InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H/t34-,35-,39+,40-,41-,42+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C42H32O9/c43-22-7-1-19(2-8-22)34-36-28(13-25(46)16-31(36)49)39-35(20-3-9-23(44)10-4-20)37-29(14-26(47)17-32(37)50)41-38-30(40(34)39)15-27(48)18-33(38)51-42(41)21-5-11-24(45)12-6-21/h1-18,34-35,39-50H |
Cluster
| Phytochemical cluster | No. 30 |
|---|---|
| KCF-S cluster | No. 163 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB | C10249 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Dipterocarpaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Stemonoporus canaliculatus | 365560 | Dipterocarpaceae | rosids | Viridiplantae |