Metabolite list (79)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
KCF-S
cluster
figure
C00050231 External link 512 Plaunol D
No. 172
C00050228 External link 512 Montanin A
No. 172
C00003411 External link 512 Scutelaterin B
No. 172
C00042044 External link 512 Ajugalide A
No. 172
C00041121 External link 512 Jamesoniellide G
No. 172
C00050227 External link 512 Difuranofruticol
No. 172
C00003415 External link 512 Hativene C
/ (-)-Hativene C
No. 172
C00050226 External link 512 Salvinorin B
/ (-)-Salvinorin B
CHEMBL178129
CHEMBL194982
CHEMBL212385
CHEMBL424698
CHEMBL1941032
3 / 0 / 0 No. 172
C00050225 External link 512 Salvinorin A
CHEMBL178960
CHEMBL445332
CHEMBL435108
CHEMBL193735
CHEMBL378767
CHEMBL458235
C090499
9 / 4 / 8 0 / 3 No. 172
C00040877 External link 512 Polystachyne D
/ (-)-Polystachyne D
No. 172
C00040876 External link 512 Spiciflorin
/ (-)-Spiciflorin
No. 172
C00050224 External link 512 Baenzigeride B
No. 172
C00040866 External link 512 Fibrauretin A
/ (+)-Fibrauretin A
CHEMBL398472
1 / 0 / 1 No. 172
C00040865 External link 512 Palmarin
CHEMBL458613
C062507
No. 172
C00040864 External link 512 Chasmanthin
CHEMBL458613
No. 172
C00039668 External link 512 Cascarillin B
/ (-)-Cascarillin B
No. 172
C00030562 External link 512 Caryoptin
No. 172
C00050223 External link 512 Clerodendrin A
No. 172
C00049102 External link 512 8-Epirhynchosperin A
/ (-)-8-Epirhynchosperin A
CHEMBL1086147
1 / 0 / 0 No. 172
C00049069 External link 512 Columbin
CHEMBL1417543
C062514
3 / 5 / 4 No. 172
C00046921 External link 512 Blepharolide A
/ (-)-Blepharolide A
No. 172
C00046920 External link 512 Callicarpone
No. 172
C00039341 External link 512 Cascarillin C
/ (-)-Cascarillin C
No. 172
C00039340 External link 512 Cascarillin H
/ (-)-Cascarillin H
CHEMBL2005858
No. 172
C00039339 External link 512 Cascarillin F
/ (+)-Cascarillin F
No. 172
C00042989 External link 512 Ajugalide B
CHEMBL1813873
No. 172
C00044308 External link 512 Ajugamacrin B
No. 172
C00035204 External link 512 Polystachyne E
No. 172
C00035203 External link 512 12-epi-Bacchotricuneatin A
CHEMBL483001
No. 172
C00044309 External link 512 Ajugamarin C1
No. 172
C00044310 External link 512 Ajugalide C
CHEMBL1813870
No. 172
C00023366 External link 512 14,15-Dihydro-15beta-methoxy-3-epicaryoptin
No. 825
C00045192 External link 512 Ajugarin I
CHEMBL494606
C092328
No. 825
C00023365 External link 512 Scutalpin M
No. 825
C00036018 External link 512 Teuscordinon
No. 825
C00036406 External link 512 6beta-Hydroxyteuscordin
/ (-)-6beta-Hydroxyteuscordin
No. 825
C00045415 External link 512 Jatrowedione
/ (+)-Jatrowedione
No. 825
C00032751 External link 512 Scupontin D
/ (-)-Scupontin D
No. 825
C00023367 External link 512 Scutelaterin A
/ (+)-Scutelaterin A
No. 825
C00022532 External link 512 14,15-Dihydro-15-hydroxy-3-epicaryoptin
No. 825
C00037674 External link 512 Clutiolide
No. 825
C00003471 External link 512 Scutelaterin C
No. 825
C00045254 External link 512 2-Hydroxyisojatrogrossidion
No. 1310
C00036883 External link 512 Dihydroclutiolide
No. 1310
C00036882 External link 512 Baenzigeride A
/ (+)-Baenzigeride A
No. 1310
C00036881 External link 512 Plaunol B
No. 1310
C00045253 External link 512 2-Epihydroxyisojatrogrossidion
No. 1310
C00003412 External link 512 Areptin B
No. 1310
C00045256 External link 512 Japodagrin
/ (-)-Japodagrin
No. 1310
C00039481 External link 512 Cascarillin D
/ (-)-Cascarillin D
No. 1330
C00039475 External link 512 Cascarillin
No. 1330
C00039211 External link 512 Cascarillin E
/ (+)-Cascarillin E
No. 1330
C00037673 External link 512 Isodihydroclutiolide
CHEMBL1980370
No. 1330
C00003463 External link 512 Ajugareptansin
/ (-)-Ajugareptansin
No. 1330
C00003413 External link 512 Ajugorientin
No. 1330
C00034895 External link 512 Scupolin J
/ (+)-Scupolin J
No. 1330
C00031583 External link 512 Scupontin A
/ (-)-Scupontin A
No. 1360
C00003400 External link 512 14,15-Dehydroajugareptansin
No. 1360
C00031581 External link 512 Clerodin
No. 1360
C00031582 External link 512 Jodrellin T
No. 1360
C00031588 External link 512 Scupontin E
/ (-)-Scupontin E
No. 1360
C00031587 External link 512 Scupontin B
/ (-)-Scupontin B
No. 1360
C00031586 External link 512 Scupontin C
/ (-)-Scupontin C
No. 1360
C00034382 External link 512 Ajugapyrin A
/ (-)-Ajugapyrin A
No. 2331
C00034381 External link 512 11-Episcutecyprin
/ (+)-11-Episcutecyprin
No. 2331
C00003408 External link 512 Ajugachin A
No. 2331
C00034560 External link 512 Scutegalin D
No. 2331
C00044207 External link 512 Ajugapantin A
CHEMBL522544
No. 2331
C00003417 External link 512 Hativene A
/ (-)-Hativene A
No. 2453
C00047368 External link 512 Salvisplendin A
/ (-)-Salvisplendin A
No. 2453
C00041828 External link 512 Jamesoniellide A
No. 2453
C00038609 External link 512 Secochiliolide lactone
No. 2453
C00003414 External link 512 Hativene B
/ (-)-Hativene B
No. 2611
C00032752 External link 512 Scupontin F
/ (-)-Scupontin F
No. 4174
C00034670 External link 512 Scutalsin
No. 4174
C00034669 External link 512 Scutalpin O
No. 4174
C00003456 External link 512 Lupulin A
No. 4563
C00035294 External link 512 6-Ketoteuscordin
No. 4563
C00003472 External link 512 Areptin A
No. 7139

Human Protein / Gene in interactions

13 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P41145 Kappa-type opioid receptor Opioid receptor C00034669 C00034670 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00003417 C00034669 1 / 1
P35372 Mu-type opioid receptor Opioid receptor C00034669 C00034670 0 / 0
P41143 Delta-type opioid receptor Opioid receptor C00034669 C00034670 0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00039211 0 / 1
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr C00047368 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00034669 0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00003417 0 / 0
P10636 Microtubule-associated protein tau Unclassified protein C00003417 4 / 3
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00034669 0 / 0
P11473 Vitamin D3 receptor NR1I1 C00034669 2 / 3
Q13951 Core-binding factor subunit beta Unclassified protein C00034669 0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein C00034669 1 / 4

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (8)

OMIM preferred title UniProt
#600274 Frontotemporal dementia; ftd P10636
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (12)

KEGG name UniProt
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

3 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D019970 Cocaine-Related Disorders C00034669
D007859 Learning Disorders C00034669
D008569 Memory Disorders C00034669