Platyphyllenone
PubChem CID: 23786382
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | PLATYPHYLLENONE, 56973-65-0, (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one, Platyphyllene, 1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one, CHEMBL330645, MEGxp0_000308, CHEBI:182667, DTXSID301346755, GCA97365, HY-N3043, AKOS032948799, AKOS040762208, FS-10027, CS-0023079, NS00097336 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P35354 |
| Iupac Name | (E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C19H20O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GIKJADRKBZHVCY-DUXPYHPUSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -3.412 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.297 |
| Compound Name | Platyphyllenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.013105563636363 |
| Inchi | InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+ |
| Smiles | C1=CC(=CC=C1CC/C=C/C(=O)CCC2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Firma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Alnus Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Betula Platyphylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all