PCIDB

KNApSAcK Metabolite C00012893

Metabolite

KNApSAcK Entry

id C00012893
Name Eupatal / Alant camphor / Inula camphor / (+)-Alantolactone / Elecampane camphor
CAS RN 546-43-0
Standard InChI InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
Standard InChI (Main Layer) InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 358

Link

ChEMBL

By standard InChI CHEMBL136356
By standard InChI Main Layer CHEMBL8831 CHEMBL136356 CHEMBL1592975

KEGG

By LinkDB C09289

CTD

By CAS RN C004363

Human Protein / Gene in interaction

5 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL1592975 CHEMBL1613995 (1)
7 / 44
P02545 Prelamin-A/C Unclassified protein CHEMBL1592975 CHEMBL1614544 (1)
11 / 10
P11473 Vitamin D3 receptor NR1I1 CHEMBL1592975 CHEMBL1794311 (1)
2 / 3
P03372 Estrogen receptor NR3A1 CHEMBL136356 CHEMBL1941568 (1) CHEMBL1941569 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1592975 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1

CTD interaction (10)

compound gene gene name gene description interaction interaction type form reference
pmid
C004363 578 BAK1
BAK
BAK-LIKE
BCL2L7
CDN1
BCL2-antagonist/killer 1 alantolactone results in increased expression of BAK1 protein increases expression
protein 22721982
C004363 581 BAX
BCL2L4
BCL2-associated X protein alantolactone results in decreased expression of BAX protein decreases expression
protein 22721982
C004363 596 BCL2
Bcl-2
PPP1R50
B-cell CLL/lymphoma 2 alantolactone results in increased expression of BCL2 protein increases expression
protein 22721982
C004363 637 BID
FP497
BH3 interacting domain death agonist alantolactone results in increased cleavage of BID protein increases cleavage
protein 22721982
C004363 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) alantolactone results in increased cleavage of CASP3 protein increases cleavage
protein 22721982
C004363 841 CASP8
ALPS2B
CAP4
Casp-8
FLICE
MACH
MCH5
caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) alantolactone results in increased cleavage of CASP8 protein increases cleavage
protein 22721982
C004363 842 CASP9
APAF-3
APAF3
ICE-LAP6
MCH6
PPP1R56
caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) alantolactone results in increased cleavage of CASP9 protein increases cleavage
protein 22721982
C004363 142 PARP1
ADPRT
ADPRT_1
ADPRT1
ARTD1
PARP
PARP-1
PPOL
pADPRT-1
poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) alantolactone results in increased cleavage of PARP1 protein increases cleavage
protein 22721982
C004363 5970 RELA
NFKB3
p65
v-rel avian reticuloendotheliosis viral oncogene homolog A alantolactone results in decreased expression of RELA protein decreases expression
protein 22721982
C004363 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 alantolactone results in increased expression of TP53 protein increases expression
protein 22721982

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (21)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#615363 Estrogen resistance; estrr P03372
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260500 Papilloma of choroid plexus; cpp P04637
#275210 Restrictive dermopathy, lethal P02545
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (50)

KEGG disease name UniProt
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (related)
H00026 Endometrial Cancer P03372 (marker)
P04637 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)