Norswertianin
PubChem CID: 5281658
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| Compound Synonyms | Norswertianin, 22172-15-2, 1,3,7,8-Tetrahydroxyxanthone, 1,2,6,8-Tetrahydroxy-9H-xanthen-9-one, 1,2,6,8-tetrahydroxyxanthen-9-one, BRN 0270047, B5PS2Z5JUG, 9H-Xanthen-9-one, 1,2,6,8-tetrahydroxy-, CHEBI:7637, 1,2,6,8-Tetrahydroxyxanthone, Xanthen-9-one, 1,2,6,8-tetrahydroxy-, CHEMBL187043, DTXSID90176708, 5-18-05-00185 (Beilstein Handbook Reference), UNII-B5PS2Z5JUG, 9H-Xanthen-9-one, 1,2,6,8-tetrahydroxy- (9CI), DTXCID1099199, HY-N9341, XAA17215, BDBM50155434, 1,2,6,8-Tetrahydroxy-xanthen-9-one, DA-76269, CS-0159489, E89055, 9H-Xanthen-9-one, 1,2,6,8-tetrahydroxy-(9CI), Q27107548 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Methyl xanthones |
| Deep Smiles | OcccO)ccc6)occc6=O))cO)ccc6))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Benzopyrans |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2CCCCC21 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21397 |
| Iupac Name | 1,2,6,8-tetrahydroxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT261 |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H8O6 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVOUOPDWADMVBA-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.0 |
| Logs | -3.392 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.695 |
| Synonyms | 1,3,7,8-tetrahydroxy-xanthone, 1,3,7,8-tetrahydroxyxanthone, 1,3,7,8-tetrahydroxyxanthones, norswertianin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Norswertianin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 260.2 |
| 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 | -3.661709357894736 |
| Inchi | InChI=1S/C13H8O6/c14-5-3-7(16)10-9(4-5)19-8-2-1-6(15)12(17)11(8)13(10)18/h1-4,14-17H |
| Smiles | C1=CC2=C(C(=C1O)O)C(=O)C3=C(C=C(C=C3O2)O)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Apetalum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Canscora Alata (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Consolida Oliveriana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Drypetes Molunduana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Makinoi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Gentiana Bavarica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Lophozia Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Monnina Emarginata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Polygala Fallax (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Pyrus Calleryana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Swertia Angustifolia (Plant) Rel Props:Reference:ISBN:9788185042084 - 13. Outgoing r'ship
FOUND_INto/from Swertia Chirata (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 14. Outgoing r'ship
FOUND_INto/from Swertia Chirayita (Plant) Rel Props:Reference:ISBN:9788172361150 - 15. Outgoing r'ship
FOUND_INto/from Swertia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Swertia Nervosa (Plant) Rel Props:Reference:ISBN:9788185042084 - 17. Outgoing r'ship
FOUND_INto/from Swertia Paniculata (Plant) Rel Props:Reference:ISBN:9788185042084 - 18. Outgoing r'ship
FOUND_INto/from Swertia Perennis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Swertia Swertiopsis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Wettsteinia Inversa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all