Zedoarondiol
PubChem CID: 14632997
Connections displayed (default: 10).
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| Compound Synonyms | Zedoarondiol, 3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one, 1,4-dihydroxy-1,4-dimethyl-7-(propan-2-ylidene)-decahydroazulen-6-one, 108887-68-9, CHEBI:183414, IEA88768, NCGC00385577-02 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Description | Constituent of Curcuma zedoaria (zedoary). Zedoarondiol is found in turmeric. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,3a,4,7,8a-hexahydroazulen-6-one |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 1.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | TXIKNNOOLCGADE-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.489 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 1.139 |
| Synonyms | Zedoarondiol |
| Compound Name | Zedoarondiol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Esol | -2.4125947999999995 |
| Inchi | InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3 |
| Smiles | CC(=C1CC2C(CCC2(C)O)C(CC1=O)(C)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Guaianes |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Aeruginosa (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Curcuma Amada (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Curcuma Angustifolia (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Curcuma Aromatica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Curcuma Caesia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Curcuma Domestica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Curcuma Heyneana (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Curcuma Inodora (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all - 11. Outgoing r'ship
FOUND_INto/from Curcuma Mangga (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Curcuma Montana (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Curcuma Petiolata (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Curcuma Pseudomontana (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Curcuma Rubescens (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Curcuma Xanthorrhiza (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Curcuma Zanthorrhiza (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Curcuma Zerumbet (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Murraya Kwangsiensis (Plant) Rel Props:Reference: