2,4,6,3',5'-Pentahydroxybenzophenone
PubChem CID: 19910294
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| Compound Synonyms | CHEMBL1256380, 2,4,6,3',5'-Pentahydroxybenzophenone, (3,5-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone, SCHEMBL9639010, BDBM50327909, 2,4,6,3'',5''-pentahydroxybenzophenone, (3,5-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(C1CCCCC1)C1CCCCC1 |
| Np Classifier Class | Acyl phloroglucinols |
| Deep Smiles | OcccO)ccc6)O))C=O)cccO)ccc6)O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(C1CCCCC1)C1CCCCC1 |
| Classyfire Subclass | Benzophenones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P49327 |
| Iupac Name | (3,5-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone |
| Prediction Hob | 0.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT865 |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10O6 |
| Scaffold Graph Node Bond Level | O=C(c1ccccc1)c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UQRUMZDBXRBEPM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -2.964 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.074 |
| Synonyms | 2,4,6,3',5'-pentahydroxybenzophenone |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | 2,4,6,3',5'-Pentahydroxybenzophenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 262.21 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.0863138210526313 |
| Inchi | InChI=1S/C13H10O6/c14-7-1-6(2-8(15)3-7)13(19)12-10(17)4-9(16)5-11(12)18/h1-5,14-18H |
| Smiles | C1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C=C2O)O)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phloroglucinols |
- 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 Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Eucalyptus Camaldulensis (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Garcinia Pedunculata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042084 - 6. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all