Ficuseptamine A
PubChem CID: 44614016
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| Compound Synonyms | FICUSEPTAMINE A, CHEMBL1088608, 6-(dimethylamino)-1-(4-hydroxy-3-methoxyphenyl)hexan-1-one, 1201799-17-8 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 6-(dimethylamino)-1-(4-hydroxy-3-methoxyphenyl)hexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C15H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VSZILFSCHHLHOH-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -2.649 |
| Rotatable Bond Count | 8.0 |
| Logd | 2.067 |
| Compound Name | Ficuseptamine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 265.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 265.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1673728105263157 |
| Inchi | InChI=1S/C15H23NO3/c1-16(2)10-6-4-5-7-13(17)12-8-9-14(18)15(11-12)19-3/h8-9,11,18H,4-7,10H2,1-3H3 |
| Smiles | CN(C)CCCCCC(=O)C1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ficus Septica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all