4,4',8,8'-Tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol
PubChem CID: 14104273
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| Compound Synonyms | CHEMBL3581376, 4,4',8,8'-tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol |
|---|---|
| Topological Polar Surface Area | 118.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 789.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,7-dihydroxy-4,8-dimethoxyphenanthren-1-yl)-4,8-dimethoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C32H26O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHYSWDUDIPIMOO-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -6.612 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.746 |
| Compound Name | 4,4',8,8'-Tetramethoxy[1,1'-biphenanthrene]-2,2',7,7'-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.163 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 538.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.7833224 |
| Inchi | InChI=1S/C32H26O8/c1-37-25-13-23(35)29(19-7-5-17-15(27(19)25)9-11-21(33)31(17)39-3)30-20-8-6-18-16(10-12-22(34)32(18)40-4)28(20)26(38-2)14-24(30)36/h5-14,33-36H,1-4H3 |
| Smiles | COC1=C2C3=C(C=CC2=C(C(=C1)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6OC)O)C(=C(C=C3)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients