4,4'-Dihydroxychalcone
PubChem CID: 5467477
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| Compound Synonyms | 4,4'-Dihydroxychalcone, 108997-30-4, (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one, 4',4-Dihydroxychalcone, RVC 588 (chalcone), Trans-4,4'-dihydroxychalcone, 4,4'-Dihydroxybenzylidene acetophenone, (E)-1,3-bis(4-Hydroxyphenyl)-2-propen-1-one, 3600-61-1, 4,4'-Dihydroxychalcone, (E)-, 1,3-bis(4-hydroxyphenyl)propenone, UNII-CKY3J88Z94, CHEMBL145927, CKY3J88Z94, 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-, 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-, (E)-, 2-Propen-1-one, 1,3-bis(4-hydroxyphenyl)-, (2E)-, 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)-, 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)-, (2E)-, (E)-4,4'-Dihydroxychalcone, 1,3-bis(4-hydroxyphenyl)prop-2-en-1-one, 4,4''-dihydroxychalcone, 4'',4-Dihydroxychalcone, SCHEMBL773588, RVC588, RVC 588, RVC-588, BDBM50068224, LMPK12120193, NSC652891, NSC-652891, PD181927, (E)-1,3-Bis-(4-hydroxy-phenyl)-propenone, G61299, 1,3-Bis-(4-hydroxy-phenyl)-prop-2-en-1-one, Q27275509 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., O42713, P13726, P80457 |
| Iupac Name | (E)-1,3-bis(4-hydroxyphenyl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT677 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FZQLEXXZAVVCCA-XCVCLJGOSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.132 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.742 |
| Compound Name | 4,4'-Dihydroxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.118032933333333 |
| Inchi | InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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 Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all