Alnustone
PubChem CID: 5317598
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| Compound Synonyms | Alnustone, 33457-62-4, (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one, (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one, CHEMBL461082, HEP-DIENE-ONE DER FR ALPINA KATSUMANDAI, 1,7-diphenylhepta-4,6-dien-3-one, MFCD00926095, Alnustone (Standard), 4,6-Heptadien-3-one, 1,7-diphenyl-, (E,E)-1,7-Diphenyl-4,6-heptadien-3-one, DAH-3-keto-4,6-dien, HY-N0558R, DTXSID30415724, CHEBI:174465, OWMJDOUOHDOUFG-FNCQTZNRSA-N, HY-N0558, BDBM50300191, NSC378841, AKOS030524791, CCG-267074, NSC 378841, NSC-378841, AC-34602, DA-60936, MS-23700, CS-0009085, S9324, trans,trans-1,7-diphenyl-1,3-heptadien-5-one, (4E,6E)-1,7-diphenyl-hepta-4,6-dien-3-one, (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one #, InChI=1/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 328.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03468 |
| Iupac Name | (4E,6E)-1,7-diphenylhepta-4,6-dien-3-one |
| Prediction Hob | 1.0 |
| Class | Diarylheptanoids |
| Xlogp | 4.6 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Linear diarylheptanoids |
| Molecular Formula | C19H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | OWMJDOUOHDOUFG-FNCQTZNRSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -4.991 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 3.894 |
| Synonyms | (4E,6E)-1,7-Diphenyl-4,6-heptadien-3-one, Alnustone |
| Compound Name | Alnustone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.3873824 |
| Inchi | InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+ |
| Smiles | C1=CC=C(C=C1)CCC(=O)/C=C/C=C/C2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Linear diarylheptanoids |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Xanthorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all