(11bS)-7,11-dihydroxy-4-(hydroxymethyl)-3,9,11b-trimethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
PubChem CID: 24879398
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL494629 |
|---|---|
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 737.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (11bS)-7,11-dihydroxy-4-(hydroxymethyl)-3,9,11b-trimethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SEIQQHZEVVWEAF-FQEVSTJZSA-N |
| Fcsp3 | 0.3 |
| Logs | -4.073 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.491 |
| Compound Name | (11bS)-7,11-dihydroxy-4-(hydroxymethyl)-3,9,11b-trimethyl-1H-naphtho[2,1-f][1]benzofuran-2,6-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3485734461538463 |
| Inchi | InChI=1S/C20H18O6/c1-8-4-10-17(24)15-13(22)5-12-11(7-21)9(2)14(23)6-20(12,3)16(15)18(25)19(10)26-8/h4-5,21,24-25H,6-7H2,1-3H3/t20-/m0/s1 |
| Smiles | CC1=CC2=C(C3=C(C(=C2O1)O)[C@]4(CC(=O)C(=C(C4=CC3=O)CO)C)C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clerodendrum Bracteatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Clerodendrum Bungei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Clerodendrum Calamitosum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Clerodendrum Chinense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Clerodendrum Colebrookianum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Clerodendrum Cyrtophyllum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Clerodendrum Glandulosum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Clerodendrum Indicum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Clerodendrum Infortunatum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Clerodendrum Japonicum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Clerodendrum Kaempferi (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Clerodendrum L (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Clerodendrum Laevifolium (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Clerodendrum Paniculatum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Clerodendrum Philippinum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Clerodendrum Phlomidis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Clerodendrum Serratum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Clerodendrum Siphonanthus (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Clerodendrum Splendens (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Clerodendrum Tomentosum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Clerodendrum Trichotomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Clerodendrum Umbellatum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Clerodendrum Viscosum (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Clerodendrum Volubile (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Cynanchum Bungei (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Jasminum Trichotomum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Tetradium Trichotomum (Plant) Rel Props:Reference: