(2S)-2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one
PubChem CID: 44589232
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL458814, BDBM50274966, (2S)-3'',7,8''-trihydroxy-2'',2''-dimethyl-2,6''-bichroman-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P18031 |
| Iupac Name | (2S)-2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C20H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VQRCDZLYMBXGNJ-ATNAJCNCSA-N |
| Fcsp3 | 0.35 |
| Logs | -4.227 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.793 |
| Compound Name | (2S)-2-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-2,3-dihydrochromen-4-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 356.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 356.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 356.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7110572615384623 |
| Inchi | InChI=1S/C20H20O6/c1-20(2)18(24)7-11-5-10(6-15(23)19(11)26-20)16-9-14(22)13-4-3-12(21)8-17(13)25-16/h3-6,8,16,18,21,23-24H,7,9H2,1-2H3/t16-,18?/m0/s1 |
| Smiles | CC1(C(CC2=C(O1)C(=CC(=C2)[C@@H]3CC(=O)C4=C(O3)C=C(C=C4)O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Abyssinica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Bersama Abyssinica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Commiphora Abyssinica (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Crambe Hispanica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Diospyros Abyssinica (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dovyalis Abyssinica (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Erythrina Americana (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Erythrina Arborescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Erythrina Berteroana (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Erythrina Burttii (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Erythrina Chiriquensis (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Erythrina Folkersii (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Erythrina Fusca (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Erythrina Glauca (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Erythrina Hypaphorus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Erythrina Latissima (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Erythrina Lithosperma (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Erythrina Lysistemon (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Erythrina Melanacantha (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Erythrina Orientalis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Erythrina Pallida (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Erythrina Poeppigiana (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Erythrina Resupinata (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Erythrina Sacleuxii (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Erythrina Salviiflora (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Erythrina Sandwicensis (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Erythrina Senegalensis (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Erythrina Sigmoidea (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Erythrina Speciosa (Plant) Rel Props:Reference: - 31. Outgoing r'ship
FOUND_INto/from Erythrina Stricta (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Erythrina Suberosa (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Erythrina Subumbrans (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Erythrina Vogelii (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Guizotia Abyssinica (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Hagenia Abyssinica (Plant) Rel Props:Reference: - 38. Outgoing r'ship
FOUND_INto/from Harrisonia Abyssinica (Plant) Rel Props:Reference: - 39. Outgoing r'ship
FOUND_INto/from Osyris Abyssinica (Plant) Rel Props:Reference: - 40. Outgoing r'ship
FOUND_INto/from Zizyphus Abyssinica (Plant) Rel Props:Reference: