KNApSAcK Metabolite C00002598
Metabolite
KNApSAcK Entry
| id | C00002598 |
|---|---|
| Name | Yatein / (-)-Yatein / (-)-Deoxypodorhizone / Dihydroanhydropodorhizol |
| CAS RN | 40456-50-6 |
| Standard InChI | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 21 |
|---|---|
| KCF-S cluster | No. 223 |
Link
ChEMBL
| By standard InChI | CHEMBL471067 |
|---|---|
| By standard InChI Main Layer | CHEMBL345590 CHEMBL471067 CHEMBL2021357 |
KEGG
| By LinkDB | C10557 |
|---|
CTD
| By CAS RN | C452802 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 8 |
| Magnoliophyta | 3 |
| asterids | 2 |
| rosids | 2 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Cupressaceae | 8 |
| Burseraceae | 2 |
| Hernandiaceae | 2 |
| Piperaceae | 1 |
| Lamiaceae | 1 |
| Menispermaceae | 1 |
| Apiaceae | 1 |
List (16)
* NCBI
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL471067 |
CHEMBL970954
(1)
|
1 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL471067 |
CHEMBL970953
(1)
CHEMBL1743432
(2)
|
0 / 1 |