Cochinchinenone
PubChem CID: 23655939
Connections displayed (default: 10).
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| Compound Synonyms | cochinchinenone, 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dien-1-one, 4-hydroxy-4-(3-(4-hydroxyphenyl)-3-oxopropyl)-3,5-dimethoxycyclohexa-2,5-dien-1-one, CHEMBL254855 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 501.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-3,5-dimethoxycyclohexa-2,5-dien-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C17H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WHNYFVUMAYSMKK-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.924 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.942 |
| Compound Name | Cochinchinenone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 318.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 318.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9319584782608696 |
| Inchi | InChI=1S/C17H18O6/c1-22-15-9-13(19)10-16(23-2)17(15,21)8-7-14(20)11-3-5-12(18)6-4-11/h3-6,9-10,18,21H,7-8H2,1-2H3 |
| Smiles | COC1=CC(=O)C=C(C1(CCC(=O)C2=CC=C(C=C2)O)O)OC |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asparagus Cochinchinensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Buchanania Cochinchinensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dracaena Angustifolia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dracaena Cinnabari (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Dracaena Concinna (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dracaena Draco (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dracaena Mannii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dracaena Ombet (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dracaena Terminalis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Excoecaria Cochinchinensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Homalium Cochinchinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Macrosolen Cochinchinensis (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Melodinus Cochinchinensis (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Momordica Cochinchinensis (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Mucuna Cochinchinensis (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Stemona Cochinchinensis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Symplocos Cochinchinensis (Plant) Rel Props:Reference: