1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one
PubChem CID: 131752986
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| Compound Synonyms | 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one, CHEBI:175163, 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one, 9CI, (1Z,4Z)-1,5-BIS(4-HYDROXY-3-METHOXYPHENYL)PENTA-1,4-DIEN-3-ONE |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of the rhizomes of Curcuma domestica (turmeric). 1,5-bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one is found in turmeric and herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (1Z,4Z)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one |
| Prediction Hob | 0.0 |
| Class | Cinnamic acids and derivatives |
| Xlogp | 3.3 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C19H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ISIMGBQRFXXNON-VHOZIDCHSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -3.981 |
| Rotatable Bond Count | 6.0 |
| State | Solid |
| Logd | 3.267 |
| Synonyms | 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one, 9CI, 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one, 9ci, Hylin, 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one |
| Substituent Name | Hydroxycinnamic acid or derivatives, Methoxyphenol, Methoxybenzene, Styrene, Phenol ether, Anisole, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Alpha,beta-unsaturated ketone, Enone, Acryloyl-group, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | 1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.9478576000000007 |
| Inchi | InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3-,8-4- |
| Smiles | COC1=C(C=CC(=C1)/C=C\C(=O)/C=C\C2=CC(=C(C=C2)O)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Hydroxycinnamic acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Longa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Curcuma Aeruginosa (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Curcuma Amada (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Curcuma Angustifolia (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Curcuma Caesia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Curcuma Domestica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Curcuma Heyneana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Curcuma Inodora (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Curcuma Mangga (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Curcuma Montana (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Curcuma Petiolata (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Curcuma Pseudomontana (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Curcuma Rubescens (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Curcuma Zerumbet (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Stephania Longa (Plant) Rel Props:Reference: