PCIDB

KNApSAcK Metabolite C00000859

Metabolite

KNApSAcK Entry

id C00000859
Name Shikonin
CAS RN 517-89-5
Standard InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1
Standard InChI (Main Layer) InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3

Cluster

Phytochemical cluster No. 80
KCF-S cluster No. 2968

Link

ChEMBL

By standard InChI CHEMBL9470
By standard InChI Main Layer CHEMBL9470 CHEMBL29285 CHEMBL28457

KEGG

By LinkDB C17412

CTD

By CAS RN

Human Protein / Gene in interaction

16 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P35610 Sterol O-acyltransferase 1 Enzyme CHEMBL9470 CHEMBL885668 (1)
0 / 0
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr CHEMBL9470 CHEMBL765609 (1)
0 / 0
Q16637 Survival motor neuron protein Unclassified protein CHEMBL9470 CHEMBL1613842 (1)
4 / 2
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL9470 CHEMBL1613776 (1)
3 / 1
P11387 DNA topoisomerase 1 Isomerase CHEMBL9470 CHEMBL28457 CHEMBL663903 (1) CHEMBL847689 (2)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL9470 CHEMBL1794311 (1)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL9470 CHEMBL1614458 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL9470 CHEMBL1738606 (1)
0 / 0
O75908 Sterol O-acyltransferase 2 Enzyme CHEMBL9470 CHEMBL885667 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL9470 CHEMBL1614211 (1)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL9470 CHEMBL1614250 (1) CHEMBL1614421 (1)
CHEMBL1614502 (1)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL9470 CHEMBL1794536 (1)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL9470 CHEMBL1613829 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL9470 CHEMBL1738442 (1)
0 / 0
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL9470 CHEMBL1738090 (1) CHEMBL1737904 (1)
CHEMBL1738444 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL9470 CHEMBL1738090 (1) CHEMBL1737904 (1)
CHEMBL1738444 (1)
1 / 6

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (14)

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
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (12)

KEGG disease name UniProt
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00249 Thyroid hormone resistance syndrome P10828 (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)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)