KNApSAcK Metabolite C00003643
Metabolite
KNApSAcK Entry
| id | C00003643 |
|---|---|
| Name | Ajugasterone C |
| CAS RN | 23044-80-6 |
| Standard InChI | InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 58 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL477336 |
KEGG
| By LinkDB | C08811 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Agelasidae | 1 |
| Zoanthidae | 1 |
| Asteraceae | 1 |
| Lamiaceae | 1 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Agelas dispar | 295252 | Agelasidae | Metazoa | |
| Rhaponticum carthamoides | 362630 | Asteraceae | asterids | Viridiplantae |
| Vitex madiensis | 54476 | Lamiaceae | asterids | Viridiplantae |
| Zoanthus sp. | 105402 | Zoanthidae | Metazoa |
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 | CHEMBL477336 |
CHEMBL2091088
(1)
CHEMBL2091092
(1)
CHEMBL2091095 (1) CHEMBL2091098 (1) |
1 / 0 |