Pipercallosidine
PubChem CID: 5372065
Connections displayed (default: 10).
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| Compound Synonyms | Pipercallosidine, CHEBI:69688, (E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hept-2-enamide, CHEMBL226637, PWLZXPUSJOUTMB-SOFGYWHQSA-N, NCGC00347573-02, Q27138030, (2E)-7-(1,3-Benzodioxol-5-yl)-N-isobutyl-2-heptenamide #, (2E)-N-isobutyl-7-(3,4-methylenedioxyphenyl)hept-2-enamide, (2E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hept-2-enamide, NCGC00347573-02_C18H25NO3_2-Heptenamide, 7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)- |
|---|---|
| Topological Polar Surface Area | 47.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | (E)-7-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)hept-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C18H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PWLZXPUSJOUTMB-SOFGYWHQSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.382 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.017 |
| Compound Name | Pipercallosidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 303.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.183 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 303.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.519710581818182 |
| Inchi | InChI=1S/C18H25NO3/c1-14(2)12-19-18(20)8-6-4-3-5-7-15-9-10-16-17(11-15)22-13-21-16/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/b8-6+ |
| Smiles | CC(C)CNC(=O)/C=C/CCCCC1=CC2=C(C=C1)OCO2 |
| 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;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Betula Alnoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Oocystis Polymorpha (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Phoebe Grandis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Piper Boehmeriaefolium (Plant) Rel Props:Source_db:npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Piper Sarmentosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Rubus Pileatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all