KNApSAcK Metabolite C00002829
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 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 7 |
Family
| family name | count |
|---|---|
| Hypericaceae | 7 |
| Chaetomiaceae | 1 |
List (8)
* NCBI
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)
|