Dihydrocudraflavone B
PubChem CID: 392451
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydrocudraflavone B, 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-g]chromen-6-one, 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano(3,2-g)chromen-6-one, CHEMBL485977, NSC692945, NSC-692945, 2-(2,4-Dihydroxy-phenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-but-2-enyl)-7,8-dihydro-6H-benzo[1,2-b:5,4-b']dipyran-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 764.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QLIUUAVXEZLWRV-UHFFFAOYSA-N |
| Fcsp3 | 0.32 |
| Logs | -2.968 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.597 |
| Compound Name | Dihydrocudraflavone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.001192883870968 |
| Inchi | InChI=1S/C25H26O6/c1-13(2)5-7-17-23(29)21-20(30-24(17)15-8-6-14(26)11-18(15)27)12-19-16(22(21)28)9-10-25(3,4)31-19/h5-6,8,11-12,26-28H,7,9-10H2,1-4H3 |
| Smiles | CC(=CCC1=C(OC2=CC3=C(CCC(O3)(C)C)C(=C2C1=O)O)C4=C(C=C(C=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Alkanna Tinctoria (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Baptisia Tinctoria (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Berberis Tinctoria (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Caesalpinia Tinctoria (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Chrozophora Tinctoria (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cota Tinctoria (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Fibraurea Tinctoria (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ficus Tinctoria (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Garcinia Tinctoria (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Genista Tinctoria (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Indigofera Tinctoria (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Maclura Aurantiaca (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Maclura Cochinchinensis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Maclura Pomifera (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Maclura Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Marsdenia Tinctoria (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Morinda Tinctoria (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Persicaria Tinctoria (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Wendlandia Tinctoria (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Wrightia Tinctoria (Plant) Rel Props:Reference: