PCIDB

KNApSAcK Metabolite C00003365

Metabolite

KNApSAcK Entry

id C00003365
Name beta-Santonin / [3R-(3alpha,3abeta,5aalpha,9balpha)]-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
CAS RN 481-07-2
Standard InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1
Standard InChI (Main Layer) InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3

Cluster

Phytochemical cluster No. 38
KCF-S cluster No. 2117

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL226231 CHEMBL259254 CHEMBL1357930 CHEMBL1570028 CHEMBL1600999 CHEMBL1717567 CHEMBL2103785

KEGG

By LinkDB C09545

CTD

By CAS RN

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1600999 CHEMBL1741321 (1)
1 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL1717567 CHEMBL2114784 (1)
1 / 1
P09917 Arachidonate 5-lipoxygenase Oxidoreductase CHEMBL226231 CHEMBL905756 (1) CHEMBL905757 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1600999 CHEMBL1741325 (1)
0 / 1
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1570028 CHEMBL1600999 CHEMBL1738606 (2)
0 / 0
O75496 Geminin Unclassified protein CHEMBL259254 CHEMBL1570028 CHEMBL2114843 (1) CHEMBL2114780 (1)
0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein CHEMBL1717567 CHEMBL2114810 (1)
7 / 3
P04150 Glucocorticoid receptor NR3C1 CHEMBL2103785 CHEMBL960411 (1)
0 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1600999 CHEMBL1741322 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1600999 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1357930 CHEMBL1570028 CHEMBL1600999 CHEMBL1614108 (3) CHEMBL1613886 (3)
CHEMBL1741324 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL1570028 CHEMBL1614211 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL1717567 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL1570028 CHEMBL1614364 (1)
1 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (11)

OMIM preferred title UniProt
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#174800 Mccune-albright syndrome; mas P63092
#166350 Osseous heteroplasia, progressive; poh P63092
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8

KEGG DISEASE (8)

KEGG disease name UniProt
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
Q9NUW8 (related)