Dimethoxycurcumin
PubChem CID: 9952605
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| Compound Synonyms | dimethoxycurcumin, 160096-59-3, dimethoxy Curcumin, Di-O-Methylcurcumin, TETRAMETHOXYCURCUMIN, 1,6-Heptadiene-3,5-dione, 1,7-bis(3,4-dimethoxyphenyl)-, (1E,6E)-, (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione, 1,7-bis(3,4-dimethoxyphenyl)-1,6-heptadiene-3,5-dione, 1,7-Bis-(3,4-dimethoxy-phenyl)-hepta-1,6-diene-3,5-dione, Veratryl curcuminoid, Dimethoxycurcumin(DiMC), VERATRYLCURCUMINOID, Dimethoxycurcumin(DiMC)?, CHC 004,Di-O-methylcurcumin, CHEMBL261295, SCHEMBL2622436, HMJSBVCDPKODEX-NXZHAISVSA-N, DTXSID101316356, HMS3650D11, BCP17149, EX-A4222, BDBM50067038, BDBM50285604, AKOS032953608, HY-100977, CS-0020657, SR-01000946328, SR-01000946328-1, BRD-K30331124-001-01-7, BRD-K30331124-001-02-5, BRD-K30331124-001-03-3, Q27276138, (1E,4Z,6E)-1,7-Bis-(3,4-dimethoxy-phenyl)-5-hydroxy-hepta-1,4,6-trien-3-one |
|---|---|
| Topological Polar Surface Area | 71.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 534.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16236 |
| Iupac Name | (1E,6E)-1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT152 |
| Xlogp | 3.9 |
| Molecular Formula | C23H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMJSBVCDPKODEX-NXZHAISVSA-N |
| Fcsp3 | 0.217391304347826 |
| Logs | -5.19 |
| Rotatable Bond Count | 10.0 |
| Logd | 2.861 |
| Compound Name | Dimethoxycurcumin |
| 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 | 2.0 |
| Esol | -4.369628696551724 |
| 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/h5-14H,15H2,1-4H3/b9-5+,10-6+ |
| Smiles | COC1=C(C=C(C=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all