3,5-Dimethoxy-2,7-phenanthrenediol
PubChem CID: 44572330
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| Compound Synonyms | 3,5-dimethoxy-2,7-phenanthrenediol, 108352-70-1, 3,5-Dimethoxyphenanthrene-2,7-diol, 2,7-Phenanthrenediol, 3,5-dimethoxy-, 2, 7-dihydroxy-4, 6-dimethoxy phenanthrene, 2,7-Dihydroxy-4,6-dimethoxyphenanthrene, CHEMBL509668, CHEBI:174552, BDBM246493, DTXSID901296992, HY-N10621, 2,7-Dihydroxy-3,5-dimethoxyphenanthrene, DA-72458, 3,5-Dimethoxy-2,7-phenanthrenediol (11), CS-0618450 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 334.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., P79208, P05979 |
| Iupac Name | 3,5-dimethoxyphenanthrene-2,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YKFWCNBTQYCJQV-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.019 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.325 |
| Compound Name | 3,5-Dimethoxy-2,7-phenanthrenediol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2012608 |
| Inchi | InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3 |
| Smiles | COC1=C2C(=CC(=C1)O)C=CC3=CC(=C(C=C32)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dioscorea Opposita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all