1,7-Bis(4-hydroxyphenyl)hepta-4,6-dien-3-one
PubChem CID: 10613719
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| Compound Synonyms | 332371-82-1, 1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one, (4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one, CHEBI:70702, 1,7-bis(4-hydroxyphenyl)-hepta-4e,6e-dien-3-one, 1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one, (4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one, 4,6-Heptadien-3-one, 1,7-bis(4-hydroxyphenyl)-, (4E,6E)-, CHEMBL475829, BDBM246500, HY-N0998, AKOS025288283, FS-8825, DA-69415, CS-0016234, 1?7-Bis(4-hydroxyphenyl)hepta-4?6-dien-3-one, Q27139033, (4e,6e)-1,7-bis(4-hydroxyphenyl)-hepta-4,6-dien-3-one, (4E,6E)-1,7-bis(4-hydroxyphenyl)-4,6-heptadien-3-one (20) |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 383.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P79208, P05979, O42713 |
| Iupac Name | (4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H18O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QIROPQQWKBMABC-ZPUQHVIOSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -3.476 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.466 |
| Compound Name | 1,7-Bis(4-hydroxyphenyl)hepta-4,6-dien-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.126 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.098106363636363 |
| Inchi | InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-6,8-9,11-14,21-22H,7,10H2/b3-1+,4-2+ |
| Smiles | C1=CC(=CC=C1CCC(=O)/C=C/C=C/C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Blepharocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dioscorea Nipponica (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:npass_chem_all