Cuscuta propenamide 1
PubChem CID: 10403282
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| Compound Synonyms | N-Caffeoyl O-methyltyramine, 189307-47-9, Cuscuta propenamide 1, CAFFEOYL-METHYLTYRAMINE, N-O-(SH), (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide, CHEBI:65700, 3-(3,4-Dihydroxyphenyl)-N-(4-methoxyphenethyl)acrylamide, 7'-(3',4'-dihydroxyphenyl)-N-[(4-methoxyphenyl)ethyl]propenamide, (2E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide, 1538555-22-4, N-Caffeoyl-O-methyltyramine, 7'-(3',4'-dihydroxyphenyl)-N-((4-methoxyphenyl)ethyl)propenamide, CHEMBL2334872, HY-N7203R, EX-A7547, HY-N7203, AKOS040733801, N-Caffeoyl O-methyltyramine (Standard), DA-56053, MS-24581, CS-0105220, F81744, Q27134183, (E)-3-(3,4-Dihydroxyphenyl)-N-(4-methoxyphenethyl)acrylamide, (2e)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-propenamide |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P32297, P43681 |
| Iupac Name | (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H19NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRKPLTBLTYEYJJ-WEVVVXLNSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.139 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.02 |
| Compound Name | Cuscuta propenamide 1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 313.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 313.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 313.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.78257555652174 |
| Inchi | InChI=1S/C18H19NO4/c1-23-15-6-2-13(3-7-15)10-11-19-18(22)9-5-14-4-8-16(20)17(21)12-14/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+ |
| Smiles | COC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cuscuta Reflexa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Microcos Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all