Acrophyllidine
PubChem CID: 167755
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| Compound Synonyms | Acrophyllidine, 18813-64-4, 9-(3-Hydroxy-3-methylbutyl)-7-methoxyfuro(2,3-b)quinolin-4(9H)-one, DTXSID70940308, 9-(3-Hydroxy-3-methylbutyl)-7-methoxyfuro[2,3-b]quinolin-4(9H)-one, Furo(2,3-b)quinolin-4(9H)-one, 9-(3-hydroxy-3-methylbutyl)-7-methoxy-, CHEMBL471599, DTXCID701368779, 9-(3-hydroxy-3-methylbutyl)-7-methoxyfuro[2,3-b]quinolin-4-one |
|---|---|
| Topological Polar Surface Area | 62.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(3-hydroxy-3-methylbutyl)-7-methoxyfuro[2,3-b]quinolin-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Is Pains | False |
| Molecular Formula | C17H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YUPNOSLGVDBAPJ-UHFFFAOYSA-N |
| Fcsp3 | 0.3529411764705882 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Acrophyllidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 301.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 301.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 301.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.244093127272727 |
| Inchi | InChI=1S/C17H19NO4/c1-17(2,20)7-8-18-14-10-11(21-3)4-5-12(14)15(19)13-6-9-22-16(13)18/h4-6,9-10,20H,7-8H2,1-3H3 |
| Smiles | CC(C)(CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysosplenium Tosaense (Plant) Rel Props:Source_db:cmaup_ingredients