Metabolite

KNApSAcK Entry

id C00002829
Name Hypericin
CAS RN 548-04-9
Standard InChI InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
Standard InChI (Main Layer) InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3

Cluster

Phytochemical cluster No. 61
KCF-S cluster No. 2632

Link

ChEMBL

By standard InChI CHEMBL286494
By standard InChI Main Layer CHEMBL286494

KEGG

By LinkDB C07606

CTD

By CAS RN C004965

Human Protein / Gene in interaction

23 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q16637 Survival motor neuron protein Unclassified protein CHEMBL286494 CHEMBL1613842 (1)
4 / 2
P10828 Thyroid hormone receptor beta NR1A2 CHEMBL286494 CHEMBL1614554 (2) CHEMBL1613776 (2)
3 / 1
P34998 Corticotropin-releasing factor receptor 1 Corticotropin releasing factor receptor CHEMBL286494 CHEMBL1120962 (1) CHEMBL1120963 (1)
0 / 0
P54132 Bloom syndrome protein Enzyme CHEMBL286494 CHEMBL1614067 (1)
1 / 2
P11473 Vitamin D3 receptor NR1I1 CHEMBL286494 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL286494 CHEMBL1613800 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL286494 CHEMBL1614458 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL286494 CHEMBL1738606 (1)
0 / 0
P35462 D(3) dopamine receptor Dopamine receptor CHEMBL286494 CHEMBL1120961 (1)
1 / 0
P11021 78 kDa glucose-regulated protein Unclassified protein CHEMBL286494 CHEMBL1963893 (1)
0 / 0
P18054 Arachidonate 12-lipoxygenase, 12S-type Enzyme CHEMBL286494 CHEMBL1614252 (1)
2 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL286494 CHEMBL1614038 (1)
2 / 2
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL286494 CHEMBL1120983 (1)
0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL286494 CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL286494 CHEMBL1614250 (2) CHEMBL1614421 (2)
CHEMBL1614502 (2)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL286494 CHEMBL1794536 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL286494 CHEMBL1613829 (2) CHEMBL1613928 (1)
0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL286494 CHEMBL1738442 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL286494 CHEMBL1614364 (2)
1 / 1
O00255 Menin Unclassified protein CHEMBL286494 CHEMBL1614257 (1) CHEMBL1614531 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL286494 CHEMBL1614257 (1) CHEMBL1614531 (1)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL286494 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL286494 CHEMBL1613933 (1)
1 / 6

CTD interaction (11)

compound gene gene name gene description interaction interaction type form reference
pmid
C004965 5243 ABCB1
ABC20
CD243
CLCS
GP170
MDR1
P-GP
PGY1
ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) hypericin inhibits the reaction [ABCB1 protein results in increased secretion of Ritonavir] decreases reaction
/ increases secretion
protein 15266218
C004965 5243 ABCB1
ABC20
CD243
CLCS
GP170
MDR1
P-GP
PGY1
ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) hypericin results in increased expression of ABCB1 increases expression
16005588
C004965 213 ALB
PRO0883
PRO0903
PRO1341
albumin hypericin binds to ALB protein affects binding
protein 15461448
C004965 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) hypericin inhibits the reaction [CYP1A1 protein affects the metabolism of benzo(a)pyrene 7,8-dihydrodiol] affects metabolic processing
/ decreases reaction
protein 14633740
C004965 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) hypericin results in decreased activity of CYP1A1 protein decreases activity
protein 14633740
C004965 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) hypericin results in decreased activity of CYP3A4 protein decreases activity
protein 15266218
C004965 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) hypericin results in decreased expression of CYP3A4 mRNA decreases expression
mRNA 15266218
C004965 1576 CYP3A4
CP33
CP34
CYP3A
CYP3A3
CYPIIIA3
CYPIIIA4
HLP
NF-25
P450C3
P450PCN1
cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) hypericin results in increased expression of CYP3A4 increases expression
16005588
C004965 2938 GSTA1
GST2
GSTA1-1
GTH1
glutathione S-transferase alpha 1 (EC:2.5.1.18) hypericin binds to and results in decreased activity of GSTA1 protein affects binding
/ decreases activity
protein 15461448
C004965 2950 GSTP1
DFN7
FAEES3
GST3
GSTP
PI
glutathione S-transferase pi 1 (EC:2.5.1.18) hypericin binds to and results in decreased activity of GSTP1 protein affects binding
/ decreases activity
protein 15461448
C004965 7153 TOP2A
TOP2
TP2A
topoisomerase (DNA) II alpha 170kDa (EC:5.99.1.3) hypericin results in decreased activity of TOP2A protein decreases activity
protein 11597574

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (24)

OMIM preferred title UniProt
#210900 Bloom syndrome; blm P54132
#114500 Colorectal cancer; crc P18054
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P18054
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#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
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#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
#190300 Tremor, hereditary essential, 1; etm1 P35462
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (24)

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)
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)
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)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00094 DNA repair defects P54132 (related)
H00296 Defects in RecQ helicases P54132 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

2 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D005909 C004965 Glioblastoma therapeutic
16059654
D010146 C004965 Pain therapeutic
19945352