Langkamide
PubChem CID: 53494929
Connections displayed (default: 10).
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| Compound Synonyms | Langkamide, 1370510-16-9, (Z)-1-(3-(3,4,5-Trimethoxyphenyl)acryloyl)-1H-pyrrol-2(5H)-one, AKOS040748720, 1-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-pyrrol-5-one |
|---|---|
| Topological Polar Surface Area | 65.099 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2H-pyrrol-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C16H17NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZTXFCPQEOFMDN-SREVYHEPSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.139 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.397 |
| Compound Name | Langkamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 303.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.111 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 303.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.540664981818182 |
| Inchi | InChI=1S/C16H17NO5/c1-20-12-9-11(10-13(21-2)16(12)22-3)6-7-15(19)17-8-4-5-14(17)18/h4-7,9-10H,8H2,1-3H3/b7-6- |
| Smiles | COC1=CC(=CC(=C1OC)OC)/C=C\C(=O)N2CC=CC2=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acanthosyris Paulo-Alvinii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aglaia Perviridis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients