Dimethylcurcumin
PubChem CID: 6477182
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| Compound Synonyms | Dimethylcurcumin, ASC-J9, 52328-98-0, 917813-54-8, (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one, ASCJ-9, GO-Y-025, Go-Y025, 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, 1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, D60XLY608D, CHC-004, 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (Z,E,E)-, 1,4,6-Heptatrien-3-one, 1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-, (1E,4Z,6E)--, 1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one, (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one, 115851-85-9, (1E,4E,6E)-1,7-Bis(3,4-dimethoxyphenyl)-5-hydroxy-1,4,6-heptatrien-3-one, ASC-J9, GO-Y025, CHC 004, Di-O-methylcurcumin, UNII-D60XLY608D, MFCD12912341, MFCD22123809, Dimethylcurcumin, ASC-J9, Dimethylcurcumin (ASC-J9), SCHEMBL3487103, DTXSID10200352, EX-A927, ZMGUKFHHNQMKJI-CIOHCNBKSA-N, GLXC-04729, NSC734923, s6630, AKOS015891371, AKOS025311328, CS-0533, DB06133, NSC-734923, AC-31058, AS-82881, DA-52565, DS-14720, FD145228, HY-15194, ASC-J9,CAS:52328-98-0, GO-Y025, Dimethylcurcumin, ASC J9, GO Y025, 1, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione, 1,7-Bis-(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one, (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxy-hepta-1,4,6-trien-3-one, 922-365-3 |
|---|---|
| Topological Polar Surface Area | 74.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 596.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275, Q7ZJM1, P56817, P05067, n.a., P0DTD1, Q969S8 |
| Iupac Name | (1E,4Z,6E)-1,7-bis(3,4-dimethoxyphenyl)-5-hydroxyhepta-1,4,6-trien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZMGUKFHHNQMKJI-CIOHCNBKSA-N |
| Fcsp3 | 0.1739130434782608 |
| Logs | -5.19 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.861 |
| Compound Name | Dimethylcurcumin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.927028696551725 |
| Inchi | InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15- |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=C/C(=O)/C=C/C2=CC(=C(C=C2)OC)OC)/O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alpinia Officinarum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all