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Serotonin

PubChem CID: 5202

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Compound Synonyms serotonin, 5-HYDROXYTRYPTAMINE, 50-67-9, 3-(2-Aminoethyl)-1H-indol-5-ol, Enteramine, Thrombotonin, 5-HT, Thrombocytin, Antemovis, Serotonine, Ds substance, Antemoqua, Hippophain, Substance DS, Substanz DS, 5-Hta, 1H-Indol-5-ol, 3-(2-aminoethyl)-, Tryptamine, 5-hydroxy-, Hippophaine, 3-(2-Aminoethyl)indol-5-ol, Indol-5-ol, 3-(2-aminoethyl)-, 3-(beta-Aminoethyl)-5-hydroxyindole, 5-Hydroxy-3-(beta-aminoethyl)indole, Enteramin, UNII-333DO1RDJY, EINECS 200-058-9, 333DO1RDJY, BRN 0143524, CHEBI:28790, 3-(2-Amino-ethyl)-1H-indol-5-ol, DTXSID8075330, 3-(.beta.-Aminoethyl)-5-hydroxyindole, SEROTONIN (MART.), SEROTONIN [MART.], 5 Hydroxytryptamine, 5-hydroxytryptamin, 5-Hydroxytriptamine, Serotonin1543, 5-Hydroxyltryptamine, 5-hydroxy-tryptamine, Enteramin, Enteramine, 5-hydroxyl tryptamine, GTPL5, SEROTONIN [MI], CHEMBL39, Prestwick0_000481, Prestwick1_000481, Prestwick2_000481, Prestwick3_000481, Lopac-H-9523, 5-Hydroxytryptamine, 5-HT, Biomol-NT_000083, bmse000757, SCHEMBL1495, SEROTONIN [WHO-DD], Lopac0_000607, Oprea1_712368, BSPBio_000341, BSPBio_001112, KBioGR_000452, KBioGR_002472, KBioSS_000452, KBioSS_002479, 5-22-12-00016 (Beilstein Handbook Reference), Serotonin, analytical standard, SPBio_002262, 5-Hydroxytryptamine, free base, BPBio1_000377, BPBio1_001079, DTXCID4040765, BCBcMAP01_000198, BDBM10755, KBio2_000452, KBio2_002472, KBio2_003020, KBio2_005040, KBio2_005588, KBio2_007608, KBio3_000843, KBio3_000844, KBio3_002950, cMAP_000059, 3-(b-Aminoethyl)-5-hydroxyindole, 5-Hydroxy-3-(b-aminoethyl)indole, Bio1_000450, Bio1_000939, Bio1_001428, Bio2_000396, Bio2_000876, HMS1362H13, HMS1792H13, HMS1990H13, HMS3403H13, 3-(2-Aminoethyl)-1H-indol-5-o, MFCD00055054, PDSP1_001512, PDSP2_001496, STK503758, AKOS001484724, 3-(2-Aminoethyl)-1H-indol-5-ol #, CCG-204696, DB08839, FH52409, indole, 3-(2-aminoethyl)-5-hydroxy-, SDCCGSBI-0050589.P002, 5-Hydroxy-3-(.beta.-aminoethyl)indole, IDI1_002151, SMP1_000272, 5-hydroxy tryptamine creatinine disulfate, NCGC00015525-01, NCGC00015525-02, NCGC00015525-03, NCGC00015525-04, NCGC00015525-05, NCGC00015525-06, NCGC00015525-07, NCGC00015525-08, NCGC00015525-09, NCGC00015525-18, NCGC00015525-19, NCGC00142449-01, NCGC00142449-02, NCGC00142449-03, NCGC00142449-04, NCGC00142449-05, AS-75772, CAS-153-98-0, DB-051820, NS00007188, 14C-5-hydroxy tryptamine creatinine disulfate, C00780, EN300-120141, G77704, A828245, L000078, Q167934, Serotonin base, 3-(2-Aminoethyl)-5-hydroxyindole, BRD-K38580127-003-15-4, BRD-K38580127-003-16-2, BRD-K38580127-003-17-0, 6F7FD5B4-A558-45F0-A20A-2D068A3EFE6A, 2-imino-1-methylimidazolidin-4-one, 3-(2-aminoethyl)-1H-indol-5-ol, bis(sulfuric acid), 1094000-36-8, 200-058-9
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 62.0
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2CCCC2C1
Np Classifier Class Simple indole alkaloids
Deep Smiles NCCcc[nH]cc5ccO)cc6
Heavy Atom Count 13.0
Pathway Kegg Map Id map00380
Classyfire Class Indoles and derivatives
Description Isolated from bananas and other fruitsand is also from cotton (Gossypium hirsutum) [DFC]. Serotonin is found in many foods, some of which are common pea, eggplant, swiss chard, and dill.
Scaffold Graph Node Level C1CCC2NCCC2C1
Classyfire Subclass Tryptamines and derivatives
Isotope Atom Count 0.0
Molecular Complexity 174.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id Q16613, P20711, Q13639, P34969, P28222, P30939, P08908, P46098, P28221
Uniprot Id Q16613, P27338, P21397, P20711, P42330, O95050, P14902, O60678, P31645, Q13639, P34969, P08047, P41595, P28222, P30939, P08908, P28223, P46098, P28221, Q6ZQW0, O95264, P28566, P47898, Q9Y5R4, Q6P1Q9, Q8TCB7, O43709, Q9JJ16, P19327, P28564, P14842, P08909, O70528, P30966, P32305, P50406, P79400, P28565, P28335, Q60484, P43140, Q62758, P35563, P21728, P18901, P61169, Q8WXA8, P31652, P48039, P49286, P14416, P23979, P35462, P35363, n.a., Q64264, P19020, P30994, P18417, Q9D6N1, P00918, P00915, P43166, Q9ULX7, O70212, P35218, Q9Y2D0, P23280, Q16790, O43570, P53615, P07451, P22748, Q9P8Q7, Q99N23, P14679, P11344, Q3I4V7, Q5AJ71, Q50565, Q6FTL6, Q9S446, P46063, P16473, P97697, O97447, P08482, P08684, P10635, P11712, Q92830, Q96KQ7, P05177, O42713, P49798, P22310, P54855, P16662, P22309, O75795, P06133, P23219, P35354, O42275, P22303, Q9Z0E8, O88446, Q9R0W2, Q63089, O15244, P07265, P15289, P40881, Q05940, Q8BRU6, Q4CVY4, P0DTD1
Iupac Name 3-(2-aminoethyl)-1H-indol-5-ol
Prediction Hob 1.0
Class Indoles and derivatives
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Target Id NPT1784, NPT1785, NPT294, NPT292, NPT290, NPT291, NPT974, NPT973, NPT92, NPT243, NPT244, NPT2776, NPT5256, NPT425, NPT4011, NPT47, NPT210, NPT109, NPT110, NPT212, NPT208
Xlogp 0.2
Superclass Organoheterocyclic compounds
Subclass Tryptamines and derivatives
Gsk 4 400 Rule True
Molecular Formula C10H12N2O
Scaffold Graph Node Bond Level c1ccc2[nH]ccc2c1
Prediction Swissadme 0.0
Inchi Key QZAYGJVTTNCVMB-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.2
Logs -1.208
Rotatable Bond Count 2.0
State Solid
Logd -0.053
Synonyms 3-(2-Aminoethyl)-1H-indol-5-ol, 3-(2-Aminoethyl)-1H-indol-5-ol, 9CI, 3-(2-Aminoethyl)-5-hydroxyindole, 3-(2-Aminoethyl)indol-5-ol, 3-(b-Aminoethyl)-5-hydroxyindole, 5-HT, 5-HTA, 5-Hydroxy-3-(b-aminoethyl)indole, 5-Hydroxy-tryptamine, 5-Hydroxyltryptamine, 5-Hydroxytriptamine, 5HT, Antemovis, Anthemovister, DS substance, Enteramin, Enteramine, Hippophaine, Serotonin, Serotonine, Thrombocytin, Thrombotonin, 5-Hydroxytryptamine, Hydroxytryptamine, 5 Hydroxytryptamine, DS Substance, 5-hydroxy-tryptamine, 5-hydroxytryptamine, serotonin, serotonine, tryptamine, 5-hydroxy, tryptamine,5-hydroxy
Substituent Name Serotonin, Hydroxyindole, Indole, Aralkylamine, Benzenoid, Substituted pyrrole, Heteroaromatic compound, Pyrrole, Azacycle, Hydrocarbon derivative, Primary amine, Organooxygen compound, Organonitrogen compound, Primary aliphatic amine, Amine, Aromatic heteropolycyclic compound
Esol Class Soluble
Functional Groups CN, cO, c[nH]c
Compound Name Serotonin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 176.095
Formal Charge 0.0
Monoisotopic Mass 176.095
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 176.21
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -2.251565492307692
Inchi InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Smiles C1=CC2=C(C=C1O)C(=CN2)CCN
Nring 2.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Serotonins
Np Classifier Superclass Tryptophan alkaloids

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