KCF-S cluster No. 100 (48 metabolites)
Corresponding Phytochemical cluster No. 36
Plant Species
Cumulative plant class count
| class name | count |
|---|---|
| asterids | 270 |
| eudicotyledons | 6 |
| rosids | 2 |
Cumulative family count (Top 20)
| class name | count |
|---|---|
Plantaginaceae
|
99 |
|
Rubiaceae
|
95 |
|
Oleaceae
|
14 |
|
Lamiaceae
|
13 |
|
Orobanchaceae
|
8 |
|
Ericaceae
|
6 |
|
Verbenaceae
|
5 |
|
Asteraceae
|
4 |
|
Acanthaceae
|
4 |
|
Eucommiaceae
|
4 |
|
Daphniphyllaceae
|
3 |
|
Loganiaceae
|
3 |
|
Scrophulariaceae
|
3 |
|
Altingiaceae
|
3 |
|
Cornaceae
|
2 |
|
Fabaceae
|
2 |
|
Loasaceae
|
2 |
|
Apocynaceae
|
2 |
|
Caprifoliaceae
|
2 |
|
Bignoniaceae
|
1 |
KEGG BRITE br08003
Categories (2)
| br08003 Category | # of metabolite |
|---|---|
| Iridoids | 8 |
| Secoiridoids | 1 |
metabolites link (9)
| br08003 Category | KEGG ID | KNApSAcK ID |
|---|---|---|
| Iridoids | C09781 | C00000320 |
| Iridoids | C09769 | C00003072 |
| Iridoids | C09771 | C00003073 |
| Iridoids | C09788 | C00003089 |
| Iridoids | C09795 | C00003094 |
| Iridoids | C09798 | C00003097 |
| Iridoids | C11673 | C00010564 |
| Secoiridoids | C01957 | C00034978 |
| Iridoids | C11672 | C00049601 |
Metabolite list (48)
| KNApSAcK ID | name | ChEMBL link | CTD link |
# of proteins in
ChEMBL interaction / related OMIM / related KEGG DISEASE |
# of genes in
CTD interaction / related diseases |
figure |
|---|---|---|---|---|---|---|
|
C00000320
|
Geniposide
|
CHEMBL462894
CHEMBL1417490 CHEMBL1718933 |
C007835
|
3 / 2 / 3 | 3 / 0 |
|
|
C00003072
|
Asperuloside
|
CHEMBL461910
CHEMBL1965021 |
C077956
|
1 / 0 / 0 |
|
|
|
C00003073
|
Aucubin
|
CHEMBL514882
CHEMBL1873725 CHEMBL1874462 |
C006650
|
5 / 1 / 1 |
|
|
|
C00003089
|
Monotropein
|
|
||||
|
C00003094
|
Paederoside
|
CHEMBL517133
|
|
|||
|
C00003097
|
Feretoside
/ Scandoside methyl ester / 6beta-Hydroxygeniposide |
CHEMBL463096
CHEMBL516850 |
|
|||
|
C00010481
|
Antirride
/ Antirrhide |
|
||||
|
C00010496
|
Bartsioside
|
|
||||
|
C00010532
|
Decaloside
|
|
||||
|
C00010533
|
Loasaside
|
|
||||
|
C00010547
|
Eranthemoside
|
|
||||
|
C00010556
|
Gardoside
|
|
||||
|
C00010564
|
Geniposidic acid
|
CHEMBL460031
|
C058966
|
|
||
|
C00010565
|
[1S-(1alpha,4aalpha,7aalpha)]-7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
|
CHEMBL1078435
|
|
|||
|
C00010577
|
Hygrophiloside
|
|
||||
|
C00010582
|
Ixoside
|
CHEMBL498244
|
|
|||
|
C00010603
|
Linaride
|
|
||||
|
C00010619
|
Monomelittoside
|
|
||||
|
C00010620
|
10-Acetylmonomelittoside
|
|
||||
|
C00010644
|
Paederosidic acid
|
CHEMBL518786
|
|
|||
|
C00010679
|
Scandoside
|
CHEMBL459415
|
|
|||
|
C00010709
|
Tarennoside
|
CHEMBL482603
|
|
|||
|
C00010717
|
Teuhircoside
|
|
||||
|
C00010719
|
Theveside
|
|
||||
|
C00010720
|
Theviridoside
/ Theveside methyl ester |
|
||||
|
C00029749
|
Asperulosidic acid
|
CHEMBL389958
|
|
|||
|
C00030092
|
Deacetylasperuloside
/ Deacetyl asperuloside |
CHEMBL462113
|
|
|||
|
C00030093
|
Deacetylasperulosidic acid
|
CHEMBL459415
|
|
|||
|
C00030094
|
6alpha-Hydroxygeniposide
/ Methyl deacetylasperulosidate / Deacetylasperulosidic acid methyl ester |
CHEMBL463096
CHEMBL516850 |
|
|||
|
C00031721
|
Daphylloside
/ Asperulosidic acid methyl ester |
|
||||
|
C00032106
|
Paederosidic acid methyl ester
|
|
||||
|
C00032672
|
6-O-epi-Acetylscandoside
/ (-)-6-O-epi-Acetylscandoside |
|
||||
|
C00034978
|
Secologanic acid
|
|
||||
|
C00035959
|
6beta-Hydroxyantirrhide
|
|
||||
|
C00036118
|
Gardoside methyl ester
|
|
||||
|
C00036396
|
10-Acetylaucubin
|
|
||||
|
C00036513
|
3,4-Dihydroaucubin
|
|
||||
|
C00036616
|
6-Epiaucubin
|
CHEMBL514882
CHEMBL1873725 CHEMBL1874462 |
5 / 1 / 1 |
|
||
|
C00036635
|
6-O-Acetylscandoside
|
|
||||
|
C00037568
|
O-Acetylgeniposidic acid
/ 10-O-Acetylgeniposidic acid |
|
||||
|
C00037800
|
Secologanoside
|
|
||||
|
C00037801
|
Secologanoside 7-methyl ester
|
|
||||
|
C00038314
|
7,8-Didehydropenstemoside
/ (-)-7,8-Didehydropenstemoside |
CHEMBL517923
CHEMBL2048532 |
|
|||
|
C00042538
|
Gardaloside
/ (-)-Gardaloside |
|
||||
|
C00043989
|
Tomentoside
|
|
||||
|
C00045189
|
6-epi-Paederosidic acid
/ (-)-6-epi-Paederosidic acid |
CHEMBL518786
|
|
|||
|
C00049144
|
Deacetylasperulosidic acid ethyl ester
|
|
||||
|
C00049601
|
10-Deoxygeniposidic acid
|
|
Human Protein / Gene in interactions
7 ChEMBL Protein in interactions
| accession | description | class description | KNApSAcK metabolite in interactions |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|
| P83916 | Chromobox protein homolog 1 | Unclassified protein | C00003072 C00003073 C00036616 | 0 / 0 |
| O75496 | Geminin | Unclassified protein | C00000320 C00003073 C00036616 | 0 / 0 |
| Q9Y468 | Lethal(3)malignant brain tumor-like protein 1 | Unclassified protein | C00003073 C00036616 | 0 / 0 |
| P03372 | Estrogen receptor | NR3A1 | C00003073 C00036616 | 1 / 1 |
| Q9UBT6 | DNA polymerase kappa | Enzyme | C00003073 C00036616 | 0 / 0 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | C00000320 | 0 / 0 |
| P11473 | Vitamin D3 receptor | NR1I1 | C00000320 | 2 / 3 |
3 Gene in CTD interactions
| gene | gene name | gene description | KNApSAcK metabolite in interactions |
|---|---|---|---|
| 581 | BAX, BCL2L4 | BCL2-associated X protein |
C00000320
|
| 596 | BCL2, Bcl-2, PPP1R50 | B-cell CLL/lymphoma 2 |
C00000320
|
| 836 | CASP3, CPP32, CPP32B, SCA-1 | caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) |
C00000320
|