Pyrrolezanthine
PubChem CID: 636825
Connections displayed (default: 10).
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| Compound Synonyms | Pyrrolezanthine, 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde, 5-Hydroxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1H-pyrrole-2-carbaldehyde, 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]-1H-pyrrole-2-carbaldehyde, 5-hydroxymethyl-1-(2-(4-hydroxyphenyl)-ethyl)-1H-pyrrole-2-carbaldehyde, 5-Hydroxymethyl-1-[2-(4-hydroxy-phenyl)-ethyl]-1H-pyrrole-2-carbaldehyde, 1H-pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]-, 5-(hydroxymethyl)-1-(2-(4-hydroxyphenyl)ethyl)-1H-pyrrole-2-carbaldehyde, 5-(Hydroxymethyl)-1-(2-(4-hydroxyphenyl)ethyl)pyrrole-2-carbaldehyde, 5-Hydroxymethyl-1-(2-(4-hydroxy-phenyl)-ethyl)-1H-pyrrole-2-carbaldehyde, 1H-pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-(4-hydroxyphenyl)ethyl)-, CHEMBL3357678, 500574-37-8 |
|---|---|
| Topological Polar Surface Area | 62.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(hydroxymethyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPSZYAMCIRWUTK-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -1.591 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.653 |
| Compound Name | Pyrrolezanthine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 245.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 245.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 245.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.201145822222222 |
| Inchi | InChI=1S/C14H15NO3/c16-9-12-3-4-13(10-17)15(12)8-7-11-1-5-14(18)6-2-11/h1-6,9,17-18H,7-8,10H2 |
| Smiles | C1=CC(=CC=C1CCN2C(=CC=C2C=O)CO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acronychia Laurifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Agave Deserti (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Aglaia Pyramidata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Asclepias Subulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Celastrus Monospermus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Eutrochium Purpureum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hortonia Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Hosta Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Inula Salsoloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Jacobaea Cannabifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Morinda Coreia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Passiflora Morifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Schrebera Swietenoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Senecio Gilliesi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Solanum Spirale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Talipariti Tiliaceum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Vernonia Lilacina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all