Ficuseptamine B
PubChem CID: 44614017
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| Compound Synonyms | FICUSEPTAMINE B, CHEMBL1088609, 6-(dimethylamino)-1-(3-hydroxy-4-methoxyphenyl)hexan-1-one, 1201799-18-9 |
|---|---|
| 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-(3-hydroxy-4-methoxyphenyl)hexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KHPBRJKLVIUPRG-UHFFFAOYSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.296 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.333 |
| Compound Name | Ficuseptamine B |
| 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 | -2.614672810526315 |
| Inchi | InChI=1S/C15H23NO3/c1-16(2)10-6-4-5-7-13(17)12-8-9-15(19-3)14(18)11-12/h8-9,11,18H,4-7,10H2,1-3H3 |
| Smiles | CN(C)CCCCCC(=O)C1=CC(=C(C=C1)OC)O |
| Nring | 3.0 |
| 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