PCIDB

KNApSAcK Metabolite C00032009

Metabolite

KNApSAcK Entry

id C00032009
Name Mestranol
CAS RN 72-33-3
Standard InChI InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1
Standard InChI (Main Layer) InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 3703

Link

ChEMBL

By standard InChI CHEMBL1201151
By standard InChI Main Layer CHEMBL1201151 CHEMBL1435885

KEGG

By LinkDB C07618

CTD

By CAS RN D008656

Species

Summary

Plant class

class name count

Family

family name count
Cunninghamellaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Cunninghamella elegans 4853 Cunninghamellaceae Fungi

Human Protein / Gene in interaction

94 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1201151 CHEMBL1435885 CHEMBL1741321 (1) CHEMBL1909136 (2)
CHEMBL2071965 (1)
1 / 0
P21728 D(1A) dopamine receptor Dopamine receptor CHEMBL1201151 CHEMBL1909139 (2)
0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase CHEMBL1201151 CHEMBL1909131 (2)
0 / 3
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) CHEMBL1201151 CHEMBL1909190 (2)
2 / 2
P08246 Neutrophil elastase S1A CHEMBL1201151 CHEMBL1909195 (2)
2 / 1
P33765 Adenosine receptor A3 Adenosine receptor CHEMBL1201151 CHEMBL1909215 (2)
0 / 0
Q16539 Mitogen-activated protein kinase 14 p38 CHEMBL1201151 CHEMBL1909201 (2)
0 / 0
P49146 Neuropeptide Y receptor type 2 Neuropeptide Y receptor CHEMBL1201151 CHEMBL1909176 (2)
0 / 0
P29466 Caspase-1 C14 CHEMBL1201151 CHEMBL1909193 (2)
0 / 0
P17252 Protein kinase C alpha type Alpha CHEMBL1201151 CHEMBL1909198 (2)
0 / 0
P27361 Mitogen-activated protein kinase 3 Erk CHEMBL1201151 CHEMBL1909199 (2)
0 / 0
P14780 Matrix metalloproteinase-9 M10A CHEMBL1201151 CHEMBL1909197 (2)
2 / 2
P02545 Prelamin-A/C Unclassified protein CHEMBL1201151 CHEMBL1435885 CHEMBL1614544 (2)
11 / 10
P00918 Carbonic anhydrase 2 Lyase CHEMBL1201151 CHEMBL1909123 (2)
1 / 2
P07550 Beta-2 adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909092 (2)
0 / 1
P21397 Amine oxidase [flavin-containing] A Oxidoreductase CHEMBL1201151 CHEMBL1909169 (2)
1 / 1
P25021 Histamine H2 receptor Histamine receptor CHEMBL1201151 CHEMBL1909157 (2)
0 / 0
P35367 Histamine H1 receptor Histamine receptor CHEMBL1201151 CHEMBL1909156 (2)
0 / 0
Q01959 Sodium-dependent dopamine transporter Dopamine CHEMBL1201151 CHEMBL1909143 (2)
1 / 0
P08912 Muscarinic acetylcholine receptor M5 Acetylcholine receptor CHEMBL1201151 CHEMBL1909174 (2)
0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909090 (2)
0 / 0
P13945 Beta-3 adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909093 (2)
0 / 0
P25024 C-X-C chemokine receptor type 1 CXC chemokine receptor CHEMBL1201151 CHEMBL1909127 (2)
0 / 0
P06241 Tyrosine-protein kinase Fyn Src CHEMBL1201151 CHEMBL1909204 (2)
0 / 0
Q08209 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform Ser_Thr CHEMBL1201151 CHEMBL1909202 (2)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1201151 CHEMBL1435885 CHEMBL1741325 (1) CHEMBL1909135 (2)
CHEMBL2071963 (1)
0 / 1
P00533 Epidermal growth factor receptor TK tyrosine-protein kinase EGFR subfamily CHEMBL1201151 CHEMBL1909203 (2)
1 / 11
P14416 D(2) dopamine receptor Dopamine receptor CHEMBL1201151 CHEMBL1909140 (2)
2 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase CHEMBL1201151 CHEMBL1909130 (2)
0 / 0
P37288 Vasopressin V1a receptor Vasopressin and oxytocin receptor CHEMBL1201151 CHEMBL1909120 (2)
0 / 0
P41145 Kappa-type opioid receptor Opioid receptor CHEMBL1201151 CHEMBL1909181 (2)
0 / 0
Q9Y271 Cysteinyl leukotriene receptor 1 Leukotriene receptor CHEMBL1201151 CHEMBL1909164 (2)
0 / 0
P29274 Adenosine receptor A2a Adenosine receptor CHEMBL1201151 CHEMBL1909214 (2)
0 / 0
P25929 Neuropeptide Y receptor type 1 Neuropeptide Y receptor CHEMBL1201151 CHEMBL1909175 (2)
0 / 0
P50052 Type-2 angiotensin II receptor Angiotensin receptor CHEMBL1201151 CHEMBL1909096 (2)
1 / 1
P17948 Vascular endothelial growth factor receptor 1 Vegfr CHEMBL1201151 CHEMBL1909118 (2)
0 / 0
P41968 Melanocortin receptor 3 Melanocortin receptor CHEMBL1201151 CHEMBL1909166 (2)
1 / 0
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 CHEMBL1201151 CHEMBL1909133 (2)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1435885 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL1201151 CHEMBL1738606 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL1201151 CHEMBL2114843 (1)
0 / 0
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase Oxidoreductase CHEMBL1201151 CHEMBL1909158 (2)
0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909088 (2)
0 / 0
P21917 D(4) dopamine receptor Dopamine receptor CHEMBL1201151 CHEMBL1909142 (2)
0 / 0
P30988 Calcitonin receptor Calcitonin receptor CHEMBL1201151 CHEMBL1909101 (2)
0 / 0
P35462 D(3) dopamine receptor Dopamine receptor CHEMBL1201151 CHEMBL1909141 (2)
1 / 0
P41143 Delta-type opioid receptor Opioid receptor CHEMBL1201151 CHEMBL1909180 (2)
0 / 0
Q92731 Estrogen receptor beta NR3A2 CHEMBL1201151 CHEMBL1909146 (2)
0 / 1
P41595 5-hydroxytryptamine receptor 2B Serotonin receptor CHEMBL1201151 CHEMBL1909104 (2)
0 / 0
P25101 Endothelin-1 receptor Endothelin receptor CHEMBL1201151 CHEMBL1909144 (2)
0 / 0
P30411 B2 bradykinin receptor Bradykinin receptor CHEMBL1201151 CHEMBL1909100 (2)
0 / 0
P32245 Melanocortin receptor 4 Melanocortin receptor CHEMBL1201151 CHEMBL1909167 (2)
1 / 0
P32238 Cholecystokinin receptor type A Cholecystokinin receptor CHEMBL1201151 CHEMBL1909129 (2)
0 / 0
P08311 Cathepsin G S1A CHEMBL1201151 CHEMBL1909194 (2)
0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor CHEMBL1201151 CHEMBL1909110 (2)
1 / 0
P03956 Interstitial collagenase M10A CHEMBL1201151 CHEMBL1909196 (2)
0 / 1
P32241 Vasoactive intestinal polypeptide receptor 1 Vasoactive intestinal peptide receptor CHEMBL1201151 CHEMBL1909119 (2)
0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL1201151 CHEMBL1794401 (1)
0 / 0
P04150 Glucocorticoid receptor NR3C1 CHEMBL1201151 CHEMBL1909150 (2)
0 / 1
P08172 Muscarinic acetylcholine receptor M2 Acetylcholine receptor CHEMBL1201151 CHEMBL1909171 (2)
2 / 0
P11229 Muscarinic acetylcholine receptor M1 Acetylcholine receptor CHEMBL1201151 CHEMBL1909170 (2)
0 / 0
P21554 Cannabinoid receptor 1 Cannabinoid receptor CHEMBL1201151 CHEMBL1909122 (2)
0 / 0
P31645 Sodium-dependent serotonin transporter Serotonin CHEMBL1201151 CHEMBL1909109 (2)
2 / 0
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily CHEMBL1201151 CHEMBL1909205 (2)
5 / 10
P20309 Muscarinic acetylcholine receptor M3 Acetylcholine receptor CHEMBL1201151 CHEMBL1909172 (2)
1 / 0
P21452 Substance-K receptor Neurokinin receptor CHEMBL1201151 CHEMBL1909114 (2)
0 / 0
P51679 C-C chemokine receptor type 4 CC chemokine receptor CHEMBL1201151 CHEMBL1909125 (2)
0 / 0
P51681 C-C chemokine receptor type 5 CC chemokine receptor CHEMBL1201151 CHEMBL1909126 (2)
3 / 0
P50406 5-hydroxytryptamine receptor 6 Serotonin receptor CHEMBL1201151 CHEMBL1909108 (2)
0 / 0
P41597 C-C chemokine receptor type 2 CC chemokine receptor CHEMBL1201151 CHEMBL1909124 (2)
1 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL1201151 CHEMBL1909200 (2)
0 / 0
P08575 Receptor-type tyrosine-protein phosphatase C Enzyme CHEMBL1201151 CHEMBL1909207 (2)
2 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1201151 CHEMBL1435885 CHEMBL1741322 (1) CHEMBL1909132 (2)
CHEMBL2071962 (1)
0 / 0
O76074 cGMP-specific 3',5'-cyclic phosphodiesterase PDE_5A CHEMBL1201151 CHEMBL1909186 (2)
0 / 0
P03372 Estrogen receptor NR3A1 CHEMBL1201151 CHEMBL1909145 (2)
1 / 1
P08588 Beta-1 adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909091 (2)
1 / 0
P22303 Acetylcholinesterase Hydrolase CHEMBL1201151 CHEMBL1909212 (2)
1 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor CHEMBL1201151 CHEMBL1909211 (2)
0 / 0
P28335 5-hydroxytryptamine receptor 2C Serotonin receptor CHEMBL1201151 CHEMBL1909105 (2)
0 / 0
P35372 Mu-type opioid receptor Opioid receptor CHEMBL1201151 CHEMBL1909182 (2)
0 / 0
P08173 Muscarinic acetylcholine receptor M4 Acetylcholine receptor CHEMBL1201151 CHEMBL1909173 (2)
0 / 0
P25103 Substance-P receptor Neurokinin receptor CHEMBL1201151 CHEMBL1909113 (2)
0 / 0
P25105 Platelet-activating factor receptor PAF receptor CHEMBL1201151 CHEMBL1909187 (2)
0 / 0
P33032 Melanocortin receptor 5 Melanocortin receptor CHEMBL1201151 CHEMBL1909168 (2)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1201151 CHEMBL1435885 CHEMBL1613777 (1) CHEMBL1741323 (1)
CHEMBL1909134 (2) CHEMBL2071964 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1201151 CHEMBL1435885 CHEMBL1614108 (1) CHEMBL1613886 (1)
CHEMBL1741324 (1) CHEMBL1909138 (2)
CHEMBL2071966 (1) CHEMBL2071967 (1)
0 / 1
P05181 Cytochrome P450 2E1 Cytochrome P450 2E1 CHEMBL1201151 CHEMBL1909137 (2)
0 / 0
P23975 Sodium-dependent noradrenaline transporter Norepinephrine CHEMBL1201151 CHEMBL1909094 (2)
1 / 1
P25100 Alpha-1D adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909087 (2)
0 / 0
P30542 Adenosine receptor A1 Adenosine receptor CHEMBL1201151 CHEMBL1909213 (2)
0 / 0
P18089 Alpha-2B adrenergic receptor Adrenergic receptor CHEMBL1201151 CHEMBL1909089 (2)
0 / 0
P24557 Thromboxane-A synthase Cytochrome P450 5A1 CHEMBL1201151 CHEMBL1909116 (2)
1 / 1
P06239 Tyrosine-protein kinase Lck Src CHEMBL1201151 CHEMBL1909206 (2)
0 / 1
P25025 C-X-C chemokine receptor type 2 CXC chemokine receptor CHEMBL1201151 CHEMBL1909128 (2)
0 / 0

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
D008656 2099 ESR1
ER
ESR
ESRA
ESTRR
Era
NR3A1
estrogen receptor 1 Mestranol results in increased activity of ESR1 protein increases activity
protein 12623674
D008656 2100 ESR2
ER-BETA
ESR-BETA
ESRB
ESTRB
Erb
NR3A2
estrogen receptor 2 (ER beta) Mestranol binds to ESR2 protein affects binding
protein 12224631
D008656 2155 F7
SPCA
coagulation factor VII (serum prothrombin conversion accelerator) (EC:3.4.21.21) Mestranol results in increased expression of F7 protein increases expression
protein 614942

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (47)

OMIM preferred title UniProt
#100100 Abdominal muscles, absence of, with urinary tract abnormality and cryptorchidism P20309
#103780 Alcohol dependence P08172
P14416
P31645
#614373 Amyotrophic lateral sclerosis 16, juvenile; als16 Q99720
#602025 Body mass index quantitative trait locus 9; bmiq9 P41968
#300615 Brunner syndrome P21397
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#162800 Cyclic neutropenia P08246
#612522 Diabetes mellitus, insulin-dependent, 22; iddm22 P51681
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#615363 Estrogen resistance; estrr P03372
#613659 Gastric cancer P04626
#137215 Gastric cancer, hereditary diffuse; hdgc P04626
#231095 Ghosal hematodiaphyseal dysplasia; ghdd P24557
#137800 Glioma susceptibility 1; glm1 P04626
#610140 Heart-hand syndrome, slovenian type P02545
#609423 Human immunodeficiency virus type 1, susceptibility to P41597
P51681
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#603932 Intervertebral disc disease; idd P14780
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#613688 Long qt syndrome 2; lqt2 Q12809
#211980 Lung cancer P00533
P04626
#608516 Major depressive disorder; mdd P08172
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
%300852 Mental retardation, x-linked 88; mrx88 P50052
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#126200 Multiple sclerosis, susceptibility to; ms P08575
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#159900 Myoclonic dystonia P14416
#202700 Neutropenia, severe congenital, 1, autosomal dominant; scn1 P08246
#601665 Obesity P32245
#164230 Obsessive-compulsive disorder; ocd P31645
#604715 Orthostatic intolerance P23975
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#167000 Ovarian cancer P04626
#613135 Parkinsonism-dystonia, infantile; pkdys Q01959
#607276 Resting heart rate, variation in P08588
#275210 Restrictive dermopathy, lethal P02545
#608971 Severe combined immunodeficiency, autosomal recessive, t cell-negative, b cell-positive, nk cell-positive P08575
#609620 Short qt syndrome 1; sqt1 Q12809
#190300 Tremor, hereditary essential, 1; etm1 P35462
#610379 West nile virus, susceptibility to P51681
#112100 Yt blood group antigen P22303

KEGG DISEASE (41)

KEGG disease name UniProt
H00016 Oral cancer P00533 (related)
P00533 (marker)
H00017 Esophageal cancer P00533 (related)
P35354 (related)
H00018 Gastric cancer P00533 (related)
P04626 (related)
H00022 Bladder cancer P00533 (related)
P04626 (related)
H00028 Choriocarcinoma P00533 (related)
P03956 (related)
P04626 (related)
H00030 Cervical cancer P00533 (related)
P04626 (related)
H00042 Glioma P00533 (related)
P00533 (marker)
H00055 Laryngeal cancer P00533 (related)
P00533 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)
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)
P04626 (related)
Q92731 (marker)
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
H00019 Pancreatic cancer P04626 (related)
H00027 Ovarian cancer P04626 (related)
H00031 Breast cancer P04626 (related)
P04626 (marker)
H00046 Cholangiocarcinoma P04626 (related)
P35354 (related)
H00093 Combined immunodeficiencies (CIDs) P06239 (related)
H00079 Asthma P07550 (related)
H00100 Neutropenic disorders P08246 (related)
H00091 T-B+Severe combined immunodeficiencies (SCIDs) P08575 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00025 Penile cancer P14780 (related)
P35354 (related)
H00479 Metaphyseal dysplasias P14780 (related)
H00548 Brunner syndrome P21397 (related)
H01031 Orthostatic intolerance (OI) P23975 (related)
H00490 Diaphyseal dysplasia with anemia (Ghosal) P24557 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00480 Non-syndromic X-linked mental retardation P50052 (related)
H00720 Long QT syndrome Q12809 (related)
H00725 Short QT syndrome Q12809 (related)

Diseases related to CTD interactions

15 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D000236 D008656 Adenoma marker/mechanism
204807
D001024 D008656 Aortic Valve Stenosis marker/mechanism
830309
D001157 D008656 Arterial Occlusive Diseases marker/mechanism
5700689
D006528 D008656 Carcinoma, Hepatocellular marker/mechanism
55736
6744303
D003866 D008656 Depressive Disorder marker/mechanism
4174173
D004374 D008656 Ductus Arteriosus, Patent marker/mechanism
830309
D004412 D008656 Dysmenorrhea therapeutic
5700689
D006261 D008656 Headache marker/mechanism
5153254
D006345 D008656 Heart Septal Defects, Ventricular marker/mechanism
830309
D006973 D008656 Hypertension marker/mechanism
5153254
D008113 D008656 Liver Neoplasms marker/mechanism
204807
D008641 D008656 Mesenteric Vascular Occlusion marker/mechanism
4121539
D011559 D008656 Pseudotumor Cerebri marker/mechanism
6805652
D020521 D008656 Stroke marker/mechanism
6636726
D014188 D008656 Transposition of Great Vessels marker/mechanism
830309