2',3'-Dihydroxy-4',6'-dimethoxychalcone
PubChem CID: 14159747
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| Compound Synonyms | 2',3'-Dihydroxy-4',6'-dimethoxychalcone, MLS000863647, SMR000440760, (E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one, 54299-64-8, MEGxp0_001483, CHEMBL1446527, ACon1_000124, BDBM47548, cid_14159747, HMS2269H13, HY-N12321, LMPK12120338, NCGC00180858-01, CS-0896501, BRD-K36092870-001-01-5, (E)-1-(2,3-dihydroxy-4,6-dimethoxy-phenyl)-3-phenyl-prop-2-en-1-one, (E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenyl-2-propen-1-one, (E)-1-[4,6-dimethoxy-2,3-bis(oxidanyl)phenyl]-3-phenyl-prop-2-en-1-one |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10636, P51450, Q962Y6, Q194T2, Q6W5P4, O75164, Q9UIF8, P11473, O89049, Q9UNA4, Q9Y253, P08659, O75496, Q9HC16, Q99700, Q16236, Q9NUW8, Q13148, Q03431, P63092 |
| Iupac Name | (E)-1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT51, NPT1416 |
| Xlogp | 3.5 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IAYOHSHBLLHXFB-CMDGGOBGSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.243 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.479 |
| Compound Name | 2',3'-Dihydroxy-4',6'-dimethoxychalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.9616583636363636 |
| Inchi | InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3/b9-8+ |
| Smiles | COC1=CC(=C(C(=C1C(=O)/C=C/C2=CC=CC=C2)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Uvaria Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all