Licochalcone D
PubChem CID: 10473311
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| Compound Synonyms | Licochalcone D, 144506-15-0, Licochalcone d [MI], UNII-3P0SH94V09, 3P0SH94V09, (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one, 2-Propen-1-one, 3-(3,4-dihydroxy-2-Methoxyphenyl)-1-[4-hydroxy-3-(3-Methyl-2-butenyl)p henyl]-, (E)-, DTXSID00162738, (2E)-3-(3,4-Dihydroxy-2-methoxyphenyl)-1-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-2-propen-1-one, 2-Propen-1-one, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, (2E)-, 2-Propen-1-one, 3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxy-3-(3-methyl-2-butenyl)phenyl)-, (E)-, (E)-3-(3,4-Dihydroxy-2-methoxyphenyl)-1-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)prop-2-en-1-one, licochalcone-D, (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)prop-2-en-1-one, CHEMBL1644932, DTXCID7085229, SCHEMBL25622940, GLXC-04268, HY-N4187, BDBM50483309, LMPK12120425, s6899, AKOS037515337, MS-25526, XL173147, CS-0032380, E88806, Q27257833 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 522.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10481, B4URF0, n.a., Q16236 |
| Iupac Name | (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Molecular Formula | C21H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RETRVWFVEFCGOK-RMKNXTFCSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.961 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.278 |
| Compound Name | Licochalcone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.830430861538462 |
| Inchi | InChI=1S/C21H22O5/c1-13(2)4-5-15-12-16(8-10-18(15)23)17(22)9-6-14-7-11-19(24)20(25)21(14)26-3/h4,6-12,23-25H,5H2,1-3H3/b9-6+ |
| Smiles | CC(=CCC1=C(C=CC(=C1)C(=O)/C=C/C2=C(C(=C(C=C2)O)O)OC)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all