p-Hydroxy-curucumin
PubChem CID: 5324476
Connections displayed (default: 10).
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| Compound Synonyms | p-hydroxy-curucumin, MLS002473128, SCHEMBL4545726, SCHEMBL9907007, CHEMBL1173154, REGID_for_CID_660690, REGID_for_CID_5324476, SMR001397225, C17742, Q63399836 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 514.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)hepta-1,4,6-trien-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT31, NPT4252, NPT1674, NPT740 |
| Xlogp | 4.0 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UEPVWRDHSPMIAZ-IZTHOABVSA-N |
| Fcsp3 | 0.05 |
| Logs | -3.611 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.923 |
| Compound Name | p-Hydroxy-curucumin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -4.4233258 |
| Inchi | InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13- |
| Smiles | COC1=C(C=CC(=C1)/C=C/C(=C/C(=O)/C=C/C2=CC=C(C=C2)O)/O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Zingiber Spectabile (Plant) Rel Props:Source_db:cmaup_ingredients