Veratrilogenin
PubChem CID: 5490798
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| Compound Synonyms | Veratrilogenin, 1,7-Dihydroxy-3,4-dimethoxyxanthone, 76907-77-2, 1,7-dihydroxy-3,4-dimethoxyxanthen-9-one, 1,7-dihydroxy-3,4-dimethoxy-xanthone, CHEMBL4100829, DTXSID70227707, 9H-Xanthen-9-one, 1,7-dihydroxy-3,4-dimethoxy-, DTXCID80150198, BDBM50611920 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 400.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,7-dihydroxy-3,4-dimethoxyxanthen-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NQNPLVZPJSLIIA-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -6.255 |
| Rotatable Bond Count | 2.0 |
| Logd | 5.473 |
| Compound Name | Veratrilogenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 288.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 288.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.061214333333334 |
| Inchi | InChI=1S/C15H12O6/c1-19-11-6-9(17)12-13(18)8-5-7(16)3-4-10(8)21-15(12)14(11)20-2/h3-6,16-17H,1-2H3 |
| Smiles | COC1=C(C2=C(C(=C1)O)C(=O)C3=C(O2)C=CC(=C3)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygala Sibirica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Polygala Tenuifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Source_db:cmaup_ingredients