Ganodine
PubChem CID: 126543
Connections displayed (default: 10).
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| Compound Synonyms | Ganodine, 133086-81-4, Ganoderma alkaloid B, N-Phenylethyl-5-hydroxymethylpyrryl aldehyde, N-Phenylethyl-2-formyl-5-hydroxymethylpyrrole, DTXSID00157947, 5-(HYDROXYMETHYL)-1-(2-PHENYLETHYL)PYRROLE-2-CARBALDEHYDE, 1H-Pyrrole-2-carboxaldehyde, 5-(hydroxymethyl)-1-(2-phenylethyl)-, 5-(hydroxymethyl)-1-phenethylpyrrole-2-carbaldehyde, DTXCID2080438 |
|---|---|
| Topological Polar Surface Area | 42.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 238.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C14H15NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FGJASCOTIIEINS-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -1.959 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.181 |
| Compound Name | Ganodine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 229.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 229.11 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 229.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3553533294117646 |
| Inchi | InChI=1S/C14H15NO2/c16-10-13-6-7-14(11-17)15(13)9-8-12-4-2-1-3-5-12/h1-7,10,17H,8-9,11H2 |
| Smiles | C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Agave Deserti (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aglaia Pyramidata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Asclepias Subulata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Celastrus Monospermus (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Conium Maculatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Eutrochium Purpureum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Hortonia Floribunda (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Hosta Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Inula Salsoloides (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Jacobaea Cannabifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Morinda Coreia (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Passiflora Morifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Schrebera Swietenoides (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Senecio Gilliesi (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Solanum Spirale (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Sophora Leachiana (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Talipariti Tiliaceum (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Vernonia Lilacina (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Zanthoxylum Simulans (Plant) Rel Props:Source_db:cmaup_ingredients