PCIDB

KNApSAcK Metabolite C00003407

Metabolite

KNApSAcK Entry

id C00003407
Name Cafestol
CAS RN 469-83-0
Standard InChI InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
Standard InChI (Main Layer) InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3

Cluster

Phytochemical cluster No. 41
KCF-S cluster No. 8155

Link

ChEMBL

By standard InChI CHEMBL1407645
By standard InChI Main Layer CHEMBL31819 CHEMBL1407645

KEGG

By LinkDB C09066

CTD

By CAS RN C053400

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Rubiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Coffea spp. 13442 Rubiaceae asterids Viridiplantae

Human Protein / Gene in interaction

2 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
O00255 Menin Unclassified protein CHEMBL1407645 CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1407645 CHEMBL1614531 (1)
1 / 3

CTD interaction (10)

compound gene gene name gene description interaction interaction type form reference
pmid
C053400 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 BCL2 protein results in decreased susceptibility to cafestol decreases response to substance
protein 21334318
C053400 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 cafestol results in decreased expression of BCL2 protein decreases expression
protein 21334318
C053400 598 BCL2L1
BCL-XL/S
BCL2L
BCLX
BCLXL
BCLXS
Bcl-X
PPP1R52
bcl-xL
bcl-xS
BCL2-like 1 cafestol results in decreased expression of BCL2L1 protein decreases expression
protein 21334318
C053400 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) cafestol results in increased activity of CASP3 protein increases activity
protein 21334318
C053400 8837 CFLAR
CASH
CASP8AP1
CLARP
Casper
FLAME
FLAME-1
FLAME1
FLIP
I-FLICE
MRIT
c-FLIP
c-FLIPL
c-FLIPR
c-FLIPS
CASP8 and FADD-like apoptosis regulator cafestol results in decreased expression of CFLAR protein decreases expression
protein 21334318
C053400 54205 CYCS
CYC
HCS
THC4
cytochrome c, somatic cafestol affects the localization of CYCS protein affects localization
protein 21334318
C053400 2944 GSTM1
GST1
GSTM1-1
GSTM1a-1a
GSTM1b-1b
GTH4
GTM1
H-B
MU
MU-1
glutathione S-transferase mu 1 (EC:2.5.1.18) [cafestol co-treated with kahweol] results in increased expression of GSTM1 protein affects cotreatment
/ increases expression
protein 11346484
C053400 4170 MCL1
BCL2L3
EAT
MCL1-ES
MCL1L
MCL1S
Mcl-1
TM
bcl2-L-3
mcl1/EAT
myeloid cell leukemia sequence 1 (BCL2-related) cafestol results in decreased expression of MCL1 protein decreases expression
protein 21334318
C053400 4170 MCL1
BCL2L3
EAT
MCL1-ES
MCL1L
MCL1S
Mcl-1
TM
bcl2-L-3
mcl1/EAT
myeloid cell leukemia sequence 1 (BCL2-related) MCL1 protein results in decreased susceptibility to cafestol decreases response to substance
protein 21334318
C053400 6817 SULT1A1
HAST1/HAST2
P-PST
PST
ST1A1
ST1A3
STP
STP1
TSPST1
sulfotransferase family, cytosolic, 1A, phenol-preferring, member 1 (EC:2.8.2.1) [cafestol co-treated with kahweol] results in decreased activity of SULT1A1 protein affects cotreatment
/ decreases activity
protein 15680679

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (3)

OMIM preferred title UniProt
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#131100 Multiple endocrine neoplasia, type i; men1 O00255

KEGG DISEASE (7)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)