Mescaline
PubChem CID: 4076
Connections displayed (default: 10).
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| Compound Synonyms | mescaline, Mescalin, Tmpea, 54-04-6, 3,4,5-Trimethoxyphenethylamine, Mezcaline, 2-(3,4,5-Trimethoxyphenyl)ethanamine, 3,4,5-Trimethoxybenzeneethanamine, Mezcalin, 3,4,5-Trimethoxyphenylethylamine, mescalina, mezcalina, Meskalin, Benzeneethanamine, 3,4,5-trimethoxy-, 2-(3,4,5-trimethoxy-phenyl)-ethylamine, Phenethylamine, 3,4,5-trimethoxy-, NSC 30419, Mescline, Mezcline, Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-, EINECS 200-190-7, UNII-RHO99102VC, NSC-30419, 2-(3,4,5-Trimethoxyphenyl)ethylamine, BRN 1374088, RHO99102VC, CHEBI:28346, HSDB 7503, 1-amino-2-(3,4,5-trimethoxyphenyl)ethane, M (PSYCHEDELIC), CHEMBL26687, DTXSID80202303, MESCALINE (MART.), MESCALINE [MART.], Mescalin [German], NCGC00247674-01, DEA No. 7381, 3,4,5-trimethoxyphenethyl-amine, MESCALINE [MI], MESCALINE [HSDB], Constituent of Peyote cacti, MESCALINE [WHO-DD], 3,5-Trimethoxyphenethylamine, Oprea1_166025, SCHEMBL34190, DivK1c_000984, 3,5-Trimethoxyphenylethylamine, DEA No. 7381(ChemID), Ethane,4,5-trimethoxyphenyl)-, 3,4,5-trimethoxy-phenethylamine, GTPL13139, KBio1_000984, DTXCID40124794, NINDS_000984, 3,4,5-trimethoxy-phenylethylamine, Benzeneethanamine,4,5-trimethoxy-, WLN: Z2R CO1 DO1 EO1, 3,4,5-Trimethoxy-b-phenethylamine, NSC30419, BDBM50059891, (3,4,5-trimethoxy)-benzylmethylamine, AKOS000277426, FT55211, SB37575, IDI1_000984, 2-(3,4,5-trimethoxyphenyl)-ethyl-amine, 2-(3,4,5-Trimethoxyphenyl)ethanamine #, 3,4,5-Trimethoxyphenylethylamine(ChemID), 3,4,5-TRIMETHYOXYBENZENEETHANAMINE, Phenethylamine, 3,4,5-trimethoxy- (8CI), 3,4,5-Trimethoxy-phenylethylamine, Mescaline, NS00005689, Benzeneethanamine, 3,4,5-trimethoxy- (9CI), C06546, Q193140, Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-(ChemID), 200-190-7 |
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| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14842, P28565, P19327, P28223, P28335, P41595, P08909, P21398, n.a. |
| Iupac Name | 2-(3,4,5-trimethoxyphenyl)ethanamine |
| Prediction Hob | 1.0 |
| Target Id | NPT290, NPT292, NPT291 |
| Xlogp | 0.7 |
| Molecular Formula | C11H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RHCSKNNOAZULRK-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -0.469 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.48 |
| Compound Name | Mescaline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 211.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 211.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6072182 |
| Inchi | InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)CCN |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Carmichaelii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Lophophora Williamsii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all