KNApSAcK Metabolite C00046047
Metabolite
KNApSAcK Entry
| id | C00046047 |
|---|---|
| Name | Isohopeaphenol A / (-)-Isohopeaphenol A |
| CAS RN | 474959-72-3 |
| Standard InChI | InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52+,53+,54+,55-,56-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 93 |
Link
ChEMBL
| By standard InChI | CHEMBL510147 |
|---|---|
| By standard InChI Main Layer | CHEMBL384120 CHEMBL504634 CHEMBL510147 CHEMBL1939276 CHEMBL1981938 |
KEGG
| By LinkDB |
|---|
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 |
|---|---|---|---|---|
| Vatica oblongifolia ssp.obongifolia | 64579 | Dipterocarpaceae | rosids | Viridiplantae |