9H-Xanthen-9-one, 2-hydroxy-3,4-dimethoxy-
PubChem CID: 493302
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| Compound Synonyms | 9H-Xanthen-9-one, 2-hydroxy-3,4-dimethoxy-, 65417-39-2, CHEMBL2029863, DTXSID10333235, 7-Hydroxy-5,6-dimethoxyxanthone, 2-hydroxy-3,4-dimethoxyxanthone, DTXCID20284325, BDBM50485136, 2-hydroxy-3,4-dimethoxy-xanthen-9-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Plant xanthones |
| Deep Smiles | COccOC))cO)ccc6occcccc6c%10=O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2CCCCC21 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B4URF0 |
| Iupac Name | 2-hydroxy-3,4-dimethoxyxanthen-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O5 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2oc2ccccc12 |
| Inchi Key | QRZSRGUYEIXKQV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 2-hydroxy-3,4-dimethoxy-xanthone, 2-hydroxy-3,4-dimethoxyxanthone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | 9H-Xanthen-9-one, 2-hydroxy-3,4-dimethoxy- |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| 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 |
| Inchi | InChI=1S/C15H12O5/c1-18-14-10(16)7-9-12(17)8-5-3-4-6-11(8)20-13(9)15(14)19-2/h3-7,16H,1-2H3 |
| Smiles | COC1=C(C=C2C(=C1OC)OC3=CC=CC=C3C2=O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Sampsonii (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Polygala Amara (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Polygala Amarella (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Polygala Arillata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Polygala Arvensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Polygala Aureocauda (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Polygala Caudata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Polygala Chinensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Polygala Crotalarioides (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Polygala Elongata (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Polygala Emodi (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Polygala Erioptera (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Polygala Fallax (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Polygala Fruticosa (Plant) Rel Props:Reference: - 15. Outgoing r'ship
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FOUND_INto/from Polygala Irregularis (Plant) Rel Props:Reference: - 17. Outgoing r'ship
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FOUND_INto/from Polygala Myrtifolia (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Polygala Paenea (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Polygala Peltatum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Polygala Persicariaefolia (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Polygala Reinii (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Polygala Ruwenzoriensis (Plant) Rel Props:Reference: - 26. Outgoing r'ship
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FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Reference: - 31. Outgoing r'ship
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