3-[3,4-Dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dimethoxychromen-4-one
PubChem CID: 11495231
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL523623 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 652.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[3,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.0 |
| Molecular Formula | C24H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PCWHSSLCNUSQJY-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -5.846 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.563 |
| Compound Name | 3-[3,4-Dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dimethoxychromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 410.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 410.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.963555866666669 |
| Inchi | InChI=1S/C24H26O6/c1-14(2)7-8-15-9-16(10-21(28-5)24(15)29-6)18-13-30-20-12-17(26-3)11-19(27-4)22(20)23(18)25/h7,9-13H,8H2,1-6H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC)OC)OC)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acnistus Arborescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Aloe Arborescens (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ambrosia Arborescens (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ardisia Arborescens (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Artemisia Arborescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Cratoxylum Arborescens (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Erythrina Arborescens (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Hedyosmum Arborescens (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Heliotropium Arborescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Hydrangea Arborescens (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Jasminum Arborescens (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Launaea Arborescens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Mascarenhasia Arborescens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Phonus Arborescens (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Psorothamnus Arborescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Psorothamnus Junceus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Psorothamnus Polydenius (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Psorothamnus Spinosus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Sideritis Arborescens (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Skimmia Arborescens (Plant) Rel Props:Reference: