KNApSAcK Metabolite C00003642
Metabolite
KNApSAcK Entry
| id | C00003642 |
|---|---|
| Name | Ajugalactone |
| CAS RN | 42975-12-2 |
| Standard InChI | InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3/t16-,18-,20+,21-,22-,24+,26+,27-,28+,29+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C29H40O8/c1-6-15-9-24(37-25(34)14(15)2)28(5,35)22-7-8-29(36)17-10-19(30)18-11-20(31)21(32)13-26(18,3)16(17)12-23(33)27(22,29)4/h10,16,18,20-22,24,31-32,35-36H,6-9,11-13H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 58 |
Link
ChEMBL
| By standard InChI | CHEMBL2087160 |
|---|---|
| By standard InChI Main Layer | CHEMBL2087160 |
KEGG
| By LinkDB | C08810 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ajuga chamaepitys | 49984 | Lamiaceae | asterids | Viridiplantae |
| Ajuga reptans | 38596 | Lamiaceae | asterids | Viridiplantae |
| Ajuga taiwanensis | 946572 | Lamiaceae | asterids | Viridiplantae |
| Ajuga turkestanica | 38595 | Lamiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL2087160 |
CHEMBL2091088
(1)
CHEMBL2091093
(1)
CHEMBL2091096 (1) CHEMBL2091099 (1) |
1 / 0 |