JAZL/ChemGist-CHON huggingface dataset:
Compound: 15183-26-3
SMILES: O1c2c(OC)c(OC)c(CC(N)C)cc2OC1
InChIKey: UQXNREZPUUGSKM-UHFFFAOYSA-N
Synonyms: 15183-26-3, DMMDA-2, EPG4XUJ647, 1-(6,7-Dimethoxybenzo[d][1,3]dioxol-5-yl)propan-2-amine, 1-(6,7-Dimethoxybenzo(d)(1,3)dioxol-5-yl)propan-2-amine, 2-(6,7-Dimethoxy-benzo(1,3)dioxol-5-yl)-1-methyl-ethylamine, 6,7-Dimethoxy-alpha-methyl-1,3-benzodioxole-5-ethanamine, 1,3-Benzodioxole-5-ethanamine, 6,7-dimethoxy-alpha-methyl-, Phenethylamine, 2,3-dimethoxy-alpha-methyl-4,5-(methylenedioxy)-, 1,3-BENZODIOXOLE-5-ETHANAMINE, 6,7-DIMETHOXY-.ALPHA.-METHYL-, 6,7-DIMETHOXY-.ALPHA.-METHYL-1,3-BENZODIOXOLE-5-ETHANAMINE, PHENETHYLAMINE, 2,3-DIMETHOXY-.ALPHA.-METHYL-4,5-(METHYLENEDIOXY)-, 2-(6,7-Dimethoxy-benzo[1,3]dioxol-5-yl)-1-methyl-ethylamine, RefChem:200710, (+-)-DMMDA 2, (+/-)-Dmmda 2, UNII-EPG4XUJ647, 1-(6,7-Dimethoxy-2H-1,3-benzodioxol-5-yl)propan-2-amine, 2,3-Dimethoxy-4,5-methylenedioxyamphetamine, CHEMBL424156, SCHEMBL5289057, 1-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-2-amine, DTXSID00587947, 1-(6,7-dimethoxy-2H-benzo[d]1,3-dioxolan-5-yl)prop-2-ylamine, STK692632, AKOS005604318, ST087713, DB-322459, 2,3-dimethoxy-4,5-methylenedioxyamphetami ne, Q4596765
Theoretical properties:
molecular_formula: C12H17NO4
molecular_weight: 239.27 g/mol
exact_mass: 239.11575802 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 17
topological_polar_surface_area: 62.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: The substituted methylenedioxyphenethylamines (abbreviated as MDxx) represent a diverse chemical class of compounds derived from phenethylamines. This category encompasses numerous psychoactive substances with entactogenic, psychedelic, and/or stimulant properties, in addition to entheogens. These compounds find application as research chemicals, designer drugs, and recreational drugs.
The base compound of the MDxx class is 3,4-methylenedioxyphenethylamine (MDPEA), and the prototypical agent of this class is 3,4-methylenedioxy-N-methylamphetamine (MDMA; "ecstasy"). Other notable MDxx class substances include 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxy-N-ethylamphetamine (MDEA; "Eve"), N-methyl-1,3-benzodioxolylbutanamine (MBDB; "Eden"), and 3,4-methylenedioxy-N-methylcathinone (βk-MDMA; "Methylone"). There are also cyclized phenethylamine MDxx compounds, such as MDAI, MDAT, MDPV, MDPM, and MDMAR.
Compound: Capromorelin
SMILES: O=C1N(N=C2[C@]1(CN(C(=O)[C@H](NC(=O)C(N)(C)C)COCc3ccccc3)CC2)Cc4ccccc4)C
InChIKey: KVLLHLWBPNCVNR-SKCUWOTOSA-N
Synonyms: Capromorelin, 193273-66-4, Capimorelin, CP-424391, capromorelina, capromoreline, CP-424,391, 0MQ44VUN84, N-[(2R)-1-[(3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-amino-2-methylpropanamide, DTXSID5057886, Elura, N-((2R)-1-((3aR)-3a-benzyl-2-methyl-3-oxo-6,7-dihydro-4H-pyrazolo(4,3-c)pyridin-5-yl)-1-oxo-3-phenylmethoxypropan-2-yl)-2-amino-2-methylpropanamide, CAPROMORELINUM, RefChem:57558, DTXCID6031673, Capromorelin [INN], CHEMBL113313, Cp 424391, UNII-0MQ44VUN84, (3ar)-3a-benzyl-2-methyl-5-(2-methylalanyl-o-benzyl-d-seryl)-3-oxo-3,3a,4,5,6,7-hexahydro-2h-pyrazolo[4,3-c]pyridine, CAPROMORELIN [MI], CP 424,391, SCHEMBL1147592, CAPROMORELIN [GREEN BOOK], GLXC-10731, EX-A2367, BDBM50083974, AKOS027326852, DB15205, AC-35748, HY-15242, CS-0003826, NS00123001, Q5036299, 2-AMINO-N-((1R)-1-(((3AR)-3A-BENZYL-2,3,3A,4,6,7-HEXAHYDRO-2-METHYL-3-OXO-5H-PYRAZOLO(4,3-C)PYRIDIN-5-YL)CARBONYL)-2-(BENZYLOXY)ETHYL)-2-METHYLPROPIONAMIDE, 2-amino-N-((R)-1-((R)-3a-benzyl-2-methyl-3-oxo-3a,4,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-5(3H)-yl)-3-(benzyloxy)-1-oxopropan-2-yl)-2-methylpropanamide, 2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3,3a,4,6,7-hexahydro-pyrazolo[4,3-c]pyridin-5-yl)-1-benzyloxymethyl-2-oxo-ethyl]-2-methyl-propionamide, PROPANAMIDE, 2-AMINO-N-(2-(2,3,3A,4,6,7-HEXAHYDRO-2-METHYL-3-OXO-3A-(PHENYLMETHYL)-5H-PYRAZOLO(4,3-C)PYRIDIN-5-YL)-2-OXO-1-((PHENYLMETHOXY)METHYL)ETHYL)-2-METHYL-, (R-(R*,R*))-
Theoretical properties:
molecular_formula: C28H35N5O4
molecular_weight: 505.6 g/mol
exact_mass: 505.26890461 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 9
heavy_atom_count: 37
topological_polar_surface_area: 117 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: CAPROMORELIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Capromorelin, sold under the brand names Entyce and Elura, is a medication used for the management of weight loss in cats and dogs. Capromorelin is a ghrelin receptor agonist known to increase appetite and weight gain.
Capromorelin was developed by Pfizer.
Capromorelin was approved for veterinary use in the United States in May 2016. It is the second drug approved for the management of weight loss in cats and the first drug approved specifically for the management of weight loss in cats with chronic kidney disease.
Compound: Bicyclo[2.2.1]heptan-2-ol
SMILES: OC1C2CC(C1)CC2
InChIKey: ZQTYQMYDIHMKQB-UHFFFAOYSA-N
Synonyms: Bicyclo[2.2.1]heptan-2-ol, 1632-68-4, 2-Norbornanol, Norborneol, Norbornyl alcohol, Bicyclo(2.2.1)heptan-2-ol, EINECS 216-637-4, NSC 22454, DTXSID001030874, RefChem:477269, DTXCID50209127, 216-637-4, MFCD00167747, endo-Norbornanol, exo-2-Norborneol, endo-2-Norborneol, .alpha.-Norborneol, 2-endo-Norbornanol, endo-2-Norbornanol, exo-Norbornyl alcohol, exo-Norbornanol, 2-Norbornanol, endo-, exo-2-Norbornanol, endo-Norborneol, exo-2-Norbornyl alcohol, 497-36-9, Bicyclo[2.2.1]heptan-2-ol, endo-, 61277-90-5, endo-Bicyclo[2.2.1]heptan-2-ol, 36779-79-0, 2-exo-Norbornanol, norbornan-2-ol, (+/-)-Exo-Norborneol, endo-Bicyclo(2.2.1)heptan-2-ol, N-Norborneol, rel-(1R,2S,4S)-norbornan-2-ol, NSC-167460, SCHEMBL161739, SCHEMBL232962, SCHEMBL383904, SCHEMBL568576, SCHEMBL710920, SCHEMBL993121, SCHEMBL3811582, SCHEMBL3829743, SCHEMBL4583567, SCHEMBL4584544, SCHEMBL7046213, (+)-Endo-(-)-2-norborneol, CHEMBL1907997, SCHEMBL18129819, 2-hydroxybicyclo[2.2.1]heptane, NSC22454, EINECS 207-844-0, NSC-22454, NSC149927, NSC167460, (1S,2R,4R)-(+)-endo-norborneol, AKOS000120212, AKOS016843444, AT23095, NSC 149927, NSC-149927, SB45601, SB46406, SB84273, SDCCGMLS-0066190.P001, BS-42136, SY167984, DB-072925, DB-360173, CS-0214941, N0775, NS00031950, NS00083111, EN300-20650, rac-(1R,2R,4S)-bicyclo[2.2.1]heptan-2-ol, F639700, Q5420475, Z104479470
Theoretical properties:
molecular_formula: C7H12O
molecular_weight: 112.17 g/mol
exact_mass: 112.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: endo-Norborneol is an alcohol containing the norbornane skeleton.
Compound: 29583-34-4
SMILES: O[C@H]1[C@H]2C[C@@H](C1)CC2
InChIKey: ZQTYQMYDIHMKQB-RRKCRQDMSA-N
Synonyms: 29583-34-4, (+)-exo-norborneol, (1R,2R,4S)-Norbornan-2-ol, X3I1L0DS1A, J231.879B, 2-Norbornanol, (1R,2R)-(+)-, Bicyclo(2.2.1)heptan-2-ol, (1R-exo)-, NORBORNEOL, EXO-(+)-, (1R,2R,4S)-Bicyclo(2.2.1)heptane-2-ol, Bicyclo(2.2.1)heptan-2-ol, (1R,2R,4S)-, (1alpha,4alpha)-Bicyclo(2.2.1)heptan-2alpha-ol, BICYCLO[2.2.1]HEPTAN-2-OL, (1R,2R,4S)-, RefChem:1092575, (1R,2R,4S)-bicyclo[2.2.1]heptan-2-ol, (1R,2R,4S)-Bicyclo(2.2.1)heptan-2-ol, 61277-90-5, MFCD00136051, exo-Norborneol, (+)-, UNII-X3I1L0DS1A, SCHEMBL472774, ZQTYQMYDIHMKQB-RRKCRQDMSA-N, MFCD00209996, AKOS037651098, CS-15884, CS-0063194, Bicyclo[2.2.1]heptan-2-ol,(1S,2R,4R)-, D73283, (1R*,2R*,4S*)-Bicyclo[2.2.1]heptan-2-ol, F608577, (1.ALPHA.,4.ALPHA.)-BICYCLO(2.2.1)HEPTAN-2.ALPHA.-OL
Theoretical properties:
molecular_formula: C7H12O
molecular_weight: 112.17 g/mol
exact_mass: 112.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Lima Township is a civil township of Washtenaw County in the U.S. state of Michigan.  The population was 4,024 at the 2020 census.
Compound: exo-Norborneol
SMILES: O[C@@H]1[C@@H]2C[C@H](C1)CC2
InChIKey: ZQTYQMYDIHMKQB-VQVTYTSYSA-N
Synonyms: exo-Norborneol, 497-37-0, 2-Norbornanol, exo-, V367XM6FYD, DTXSID7022041, RefChem:854705, DTXCID802041, EXO-NORBORNAN-2-OL, (1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol, exo-2-Norborneol, exo-Bicyclo[2.2.1]heptan-1-ol, exo-Bicyclo[2.2.1]heptan-2-ol, 61277-93-8, 83572-20-7, exo-Bicyclo(2.2.1)heptan-2-ol, (-)-exo-norborneol, (1S,2S,4R)-Norbornane-2-ol, (1R,2S,4R)-Bicyclo[2.2.1]heptan-2-ol, (-)-exo-2-Norborneol, AF39IU2W1C, J45.575J, exo-Norbornanol, (1S,2S,4R)-2-Norbornanol, exo-2-Norbornanol, Bicyclo(2.2.1)heptan-2-ol, (1R,2R,4S)-rel-, exo-Norbornyl alcohol, exo-2-Norbornyl alcohol, Bicyclo(2.2.1)heptan-2-ol, (1S-exo)-, (1S,2S,4R)-Bicyclo(2.2.1)heptane-2-ol, Bicyclo(2.2.1)heptan-2-ol, (1S,2S,4R)-, BICYCLO[2.2.1]HEPTAN-2-OL, (1S,2S,4R)-, MFCD00136051, NSC 167460, (+/-)-Exo-Norborneol, UNII-V367XM6FYD, NSC-167460, (1beta,4beta)-Norbornane-2beta-ol, EINECS 207-845-6, exo-Norborneol, 98%, AI3-51349, exo-Norborneol, (-)-, NORBORNEOL, EXO-, D,L-EXO-NORBORNEOL, UNII-AF39IU2W1C, SCHEMBL2744911, NORBORNEOL, EXO-(-)-, (1S,2S,4R)-norbornan-2-ol, ZQTYQMYDIHMKQB-VQVTYTSYSA-N, 36779-79-0, MFCD00213421, AKOS027327416, AS-59802, SY113866, J237.525G, EXO-2-HYDROXYBICYCLO(2.2.1)HEPTANE, (1S,3R,4R)-bicyclo[2.2.1]heptan-3-ol, E88488, Rel-(1S,2S,4R)-bicyclo[2.2.1]heptan-2-ol, (1.BETA.,4.BETA.)-NORBORNANE-2.BETA.-OL, Q63396571
Theoretical properties:
molecular_formula: C7H12O
molecular_weight: 112.17 g/mol
exact_mass: 112.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 20.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: exo-Norborneol is an alcohol containing the norbornane skeleton. Commercially available, this colorless compound may be prepared by the reaction of norbornene with formic acid, followed by hydrolysis of the resultant exo-norbornyl formate.
Compound: Cyclopropa-1,2,3-triene
SMILES: C=1=C=C1
InChIKey: YFIWEVIZVZPDMO-UHFFFAOYSA-N
Synonyms: Cyclopropa-1,2,3-triene, DTXSID801336161, RefChem:1082742, DTXCID201766281, Cyclopropatriene, Q866198
Theoretical properties:
molecular_formula: C3
molecular_weight: 36.03 g/mol
exact_mass: 36 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 3
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: 4-hydroxy-4-methylpentanoic acid
SMILES: O=C(O)CCC(O)(C)C
InChIKey: PQJUMPXLDAZULJ-UHFFFAOYSA-N
Synonyms: 4-hydroxy-4-methylpentanoic acid, 23327-19-7, RBT229QVC5, DTXSID50633867, UMB68 cpd, RefChem:99220, UMB-68, DTXCID60584619, Pentanoic acid, 4-hydroxy-4-methyl-, UNII-RBT229QVC5, SCHEMBL381314, 4-hydroxy-4-methyl-pentanoic acid, PDSP1_000344, PDSP2_000342, AKOS006376627, DB-184929
Theoretical properties:
molecular_formula: C6H12O3
molecular_weight: 132.16 g/mol
exact_mass: 132.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 9
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: 4-Hydroxy-4-methylpentanoic acid (UMB68) is a tertiary alcohol, similar in structure to the drug GHB. The molecule has been synthesized and tested on animals in order to further research the effects of GHB. UMB68 has been shown to bind selectively to the GHB receptor ligand in binding assays, yet does not bind to GABA receptors. As such, it can provide a useful tool in studying the pharmacology of the GHB receptor in absence of GABAergic effects.
Compound: PINACOL
SMILES: OC(C(O)(C)C)(C)C
InChIKey: IVDFJHOHABJVEH-UHFFFAOYSA-N
Synonyms: PINACOL, 76-09-5, 2,3-Dimethylbutane-2,3-diol, 2,3-Dimethyl-2,3-butanediol, Pinacone, Tetramethylethylene glycol, 2,3-Butanediol, 2,3-dimethyl-, 1,1,2,2-Tetramethylethylene glycol, 2,3-Dihydroxy-2,3-dimethylbutane, 2,3-Dimethyl-2,3-dihydroxybutane, 527QE7I5CO, NSC-25943, DTXSID3058793, CHEBI:131185, RefChem:174293, DTXCID5047825, 200-933-5, MFCD00004462, 2,3-Dimethyl-butane-2,3-diol, 75160-24-6, EINECS 200-933-5, NSC 25943, BRN 1340501, UNII-527QE7I5CO, AI3-02251, Pinacol, 98%, Pinacol, >=98%, PINACOL [MI], GlyTouCan:G07828TE, SCHEMBL8968, 4-01-00-02575 (Beilstein Handbook Reference), SCHEMBL270701, 2,3-dimethyl-2,3-butandiol, SCHEMBL1006386, CHEMBL3289669, SCHEMBL21596510, WLN: QX1&1&XQ1&1, ADA16024, G07828TE, NSC25943, meso-2,3-Dimethyl-2,3-butanediol, STL256832, AKOS007930158, AC-4658, FP16086, AS-12465, BP-21164, SY001866, CS-0015356, D0691, NS00013152, EN300-39352, D71083, Pinacol Pinacone 2,3-Dimethyl-2,3-butanediol, F166700, Q421634, 2,3-Dimethyl-2,3-butanediol, Tetramethylethylene glycol, F0001-1921, Z382716052, InChI=1/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H
Theoretical properties:
molecular_formula: C6H14O2
molecular_weight: 118.17 g/mol
exact_mass: 118.099379685 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 8
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.5 [mmHg]
Descriptions:
pubchem: Pinacol is a glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.
chebi: A glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pinacol is a branched alcohol which finds use in organic syntheses. It is a diol that has hydroxyl groups on vicinal carbon atoms. A white solid that melts just above room temperature, pinacol is notable for undergoing the pinacol rearrangement in the presence of acid and for being the namesake of the pinacol coupling reaction.
Compound: DESMOSINE
SMILES: O=C(O)[C@@H](N)CCc1c(c(c[n+](c1)CCCC[C@H](N)C(=O)O)CC[C@H](N)C(=O)O)CCC[C@H](N)C(=O)O
InChIKey: VEVRNHHLCPGNDU-MUGJNUQGSA-O
Synonyms: DESMOSINE, 11003-57-9, 4MOL2J0TLY, CHEBI:37628, DTXSID801106522, 4-(4-Amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)pyridinium, 4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium, 6-(4-((4S)-4-AMINO-4-CARBOXYBUTYL)-3,5-BIS((3S)-3-AMINO-3-CARBOXYPROPYL)-1-PYRIDINIUMYL)-L-NORLEUCINE, Pyridinium, 4-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)-, 4-((4S)-4-Amino-4-Carboxybutyl)-1-((5S)-5-Amino-5-Carboxypentyl)-3,5-Bis((3S)-3-Amino-3-Carboxypropyl)Pyridinium, Pyridinium, 4-((4S)-4-amino-4-carboxybutyl)-1-((5S)-5-amino-5-carboxypentyl)-3,5-bis((3S)-3-amino-3-carboxypropyl)-, Pyridinium, 4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]-, RefChem:585818, DTXCID301538184, 3,5-bis((3S)-3-amino-3-carboxypropyl)-4-((4S)-4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)pyridin-1-ium, (2S)-2-amino-6-[4-[(4S)-4-amino-4-carboxybutyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridin-1-ium-1-yl]hexanoic acid, UNII-4MOL2J0TLY, DESMOSINE CATION, DESMOSINE, (+)-, SCHEMBL62181, VEVRNHHLCPGNDU-MUGJNUQGSA-O, Q61184, 3,5-Bis((S)-3-amino-3-carboxypropyl)-4-((S)-4-amino-4-carboxybutyl)-1-((S)-5-amino-5-carboxypentyl)pyridin-1-ium, Pyridinium, 4-(4-amino-4-carboxybutyl)-1-(5-amino-5-carboxypentyl)-3,5-bis(3-amino-3-carboxypropyl)- (VAN)
Theoretical properties:
molecular_formula: C24H40N5O8+
molecular_weight: 526.6 g/mol
exact_mass: 526.28768825 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 8
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 19
heavy_atom_count: 37
topological_polar_surface_area: 257 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Desmosine is an aromatic amino acid. It is functionally related to a L-lysine.
wikipedia: Desmosine is an amino acid found uniquely in elastin, a protein found in connective tissue such as skin, lungs, and elastic arteries. 
Desmosine is a component of elastin and cross links with its isomer, isodesmosine, giving elasticity to the tissue. Detection of desmosine in urine, plasma or sputum samples can be a marker for elastin breakdown due to high elastase activity related to certain diseases.
Compound: Tropone
SMILES: O=c1cccccc1
InChIKey: QVWDCTQRORVHHT-UHFFFAOYSA-N
Synonyms: Tropone, 539-80-0, cyclohepta-2,4,6-trien-1-one, 2,4,6-CYCLOHEPTATRIEN-1-ONE, Cycloheptatrienone, CO48X7SUFH, cyclohepta-2,4,6-trienone, DTXSID60202169, RefChem:192268, DTXCID10124660, 208-725-6, MFCD00014331, Tropon, 2,4,6-Cycloheptatriene-1-one, UNII-CO48X7SUFH, EINECS 208-725-6, Tropone, 97%, 2,4,6-cycloheptatrienone, SCHEMBL316824, 2,4,6-cycloheptatrien-1-on, orb2278572, SCHEMBL1618609, SCHEMBL19331457, SBB057378, 2,4,6-CYCLOHEPTATRIN-1-ONE, AKOS024365345, FC59201, HY-W035904, SY128979, DB-052444, CS-0088241, NS00043109, ST50998275, D74673, F615701, Q413630, doi:10.14272/QVWDCTQRORVHHT-UHFFFAOYSA-N.1, InChI=1/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6
Theoretical properties:
molecular_formula: C7H6O
molecular_weight: 106.12 g/mol
exact_mass: 106.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 8
topological_polar_surface_area: 17.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: Tropone or 2,4,6-cycloheptatrien-1-one is an organic compound with some importance in organic chemistry as a non-benzenoid aromatic. The compound consists of a ring of seven carbon atoms with three conjugated alkene groups and a ketone group. The related compound tropolone (2-hydroxy-2,4,6-cycloheptatrien-1-one) has an additional alcohol (or an enol including the double bond) group next to the ketone.  Tropones are uncommon in natural products, with the notable exception of the 2-hydroxyl derivatives, which are called tropolones.
Tropone has been known since 1951 and is also called cycloheptatrienylium oxide. The name tropolone was coined by M. J. S. Dewar in 1945 in connection to perceived aromatic properties.
Compound: Tropolone
SMILES: O=c1c(O)ccccc1
InChIKey: MDYOLVRUBBJPFM-UHFFFAOYSA-N
Synonyms: Tropolone, 533-75-5, 2-Hydroxycyclohepta-2,4,6-trienone, Purpurocatechol, 2-Hydroxytropone, 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-, DTXSID8049416, 7L6DL16P1T, NSC-89303, DTXCID7029376, CHEBI:79966, RefChem:389350, 208-577-2, 2-hydroxycyclohepta-2,4,6-trien-1-one, 2-Hydroxy-2,4,6-cycloheptatrien-1-one, 2-Hydroxy-2,4,6-cycloheptatrienone, MFCD00004158, NSC89303, 2-Hydroxy-2,4,6-cycloheptatriene-1-one, CHEMBL121188, tropolon, CCRIS 6609, EINECS 208-577-2, NSC 89303, BRN 1904978, UNII-7L6DL16P1T, Tropomyosins, 0TR, Tropolone, 98%, TROPOLONE [MI], .ALPHA.-TROPOLONE, NCIMech_000829, TROPOLONE [WHO-DD], SCHEMBL42739, 4-08-00-00159 (Beilstein Handbook Reference), orb1299232, SCHEMBL5481260, HY-N7135, Tox21_202924, AC1614, BDBM50236983, CCG-35867, EBC-03102, MSK166098, s5688, 2-Hydroxy-cyclohepta-2,4,6-trienone, AKOS015900394, Tropolone, purum, >=98.0% (GC), CS-W013560, 2,6-Cycloheptatrien-1-one, 2-hydroxy-, NCGC00260470-01, AC-25757, AS-14018, CAS-533-75-5, NCI60_041986, SY009930, 2-hydroxy-2,4,6-cycloheptatrien -1-one, 1,4,6-Cycloheptatrien-1-one, 2-hydroxy-, DB-052324, NS00032738, ST50998276, EN300-124250, F358139, Q19952843, F0001-1377, InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9
Theoretical properties:
molecular_formula: C7H6O2
molecular_weight: 122.12 g/mol
exact_mass: 122.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
vapor_pressure: 0.000679 [mmHg]
Descriptions:
pubchem: Tropolone is a cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii. It has a role as a fungicide, a toxin and a bacterial metabolite. It is an alpha-hydroxy ketone, an enol and a cyclic ketone. It derives from a hydride of a cyclohepta-1,3,5-triene.
chebi: A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen <em>Burkholderia plantarii</em>.
chembl: TROPOLONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tropolone is an organic compound with the chemical formula C7H5(OH)O.  It is a pale yellow solid that is soluble in organic solvents.  The compound has been of interest to research chemists because of its unusual electronic structure and its role as a ligand precursor.  Although not usually prepared from tropone, it can be viewed as its derivative with a hydroxyl group in the 2-position.
SMILES: C1(=CC2C3(C4(C(C(CCC4)(C)C)CC2)C)CC1CC3)C
InChIKey: MCRAOCBPZAIHJQ-UHFFFAOYSA-N
Theoretical properties:
molecular_formula: C20H32
molecular_weight: 272.5 g/mol
exact_mass: 272.250401021 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 20
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: triethylamine acetate
SMILES: O=C(O)C.N(CC)(CC)CC
InChIKey: AVBGNFCMKJOFIN-UHFFFAOYSA-N
Synonyms: triethylamine acetate, RefChem:191519, Triethylammonium acetate, 5204-74-0, acetic acid;N,N-diethylethanamine, MFCD00151725, Triethylammonium Acetate (2.0mol/L in Water), TEAA, Ethanamine, N,N-diethyl-, acetate, EINECS 225-995-0, HOAc Et3N, Acetic acid triethylamine, SCHEMBL22152, DTXSID5063736, N,N-diethylethanamine;ethanoic acid, FAA20474, Acetic acid--N,N-diethylethanamine (1/1), NS00076347, Triethylammonium acetate, 1M aqueous solution, Q7841459
Theoretical properties:
molecular_formula: C8H19NO2
molecular_weight: 161.24 g/mol
exact_mass: 161.141578849 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 11
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 2
Physical properties:
Descriptions:
wikipedia: Triethylammonium acetate is a volatile salt, which is often used as an ion-pairing reagent in high-performance liquid chromatography separations of oligonucleotides.
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](/C(=C\C)/C(C4)=O)(C)CC3)CC2)(C)CC1
InChIKey: WDXRGPWQVHZTQJ-AUKWTSKRSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: E-GUGGULSTERONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
SMILES: O=C1C=C2[C@]([C@@H]3[C@H]([C@H]4[C@](/C(=C/C)/C(C4)=O)(C)CC3)CC2)(C)CC1
InChIKey: WDXRGPWQVHZTQJ-OSJVMJFVSA-N
Theoretical properties:
Physical properties:
Descriptions:
chembl: GUGGULSTERONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.