O-Demethylforbexanthone
PubChem CID: 45269778
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | O-Demethylforbexanthone, 92609-77-3, 7,9,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one, 2H,6H-Pyrano[3,2-b]xanthen-6-one, 7,9,12-trihydroxy-2,2-dimethyl-, 7,9,12-Trihydroxy-2,2-dimethyl-2H,6H-pyrano[3,2-b]xanthen-6-one, Y4NP4FY8AD, CHEMBL551983, SCHEMBL17057011, DTXSID00669873, CHEBI:174369, SDA60977, AKOS028110050, FS-9163, CS-0023390, B0005-190259, 2,2-Dimethyl-7,9,12-tris(oxidanyl)pyrano(3,2-b)xanthen-6-one, 7,9,12-TRIHYDROXY-2,2-DIMETHYL-1,11-DIOXATETRACEN-6-ONE, 7,9,12-TRIHYDROXY-2,2-DIMETHYL-2,6-DIHYDRO-1,11-DIOXATETRACEN-6-ONE |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Constituent of Rheedia brasiliensis (bakupari). O-Demethylforbexanthone is found in herbs and spices and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7,9,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WBKWHYDUDXOZIU-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.944 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.777 |
| Synonyms | O-Demethylforbexanthone |
| Compound Name | O-Demethylforbexanthone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.764351466666666 |
| Inchi | InChI=1S/C18H14O6/c1-18(2)4-3-8-5-10-14(21)13-11(20)6-9(19)7-12(13)23-17(10)15(22)16(8)24-18/h3-7,19-20,22H,1-2H3 |
| Smiles | CC1(C=CC2=CC3=C(C(=C2O1)O)OC4=CC(=CC(=C4C3=O)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cistanche Salsa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Garcinia Oblongifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Neomeris Annulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Piper Wightii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Trifolium Resupinatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Zanthoxylum Decaryi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all