1-(2,7-Dihydroxy-3,4-dimethoxy-9,10-dihydrophenanthren-1-yl)-3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
PubChem CID: 134139861
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| Compound Synonyms | CHEMBL3919623 |
|---|---|
| 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-3,4-dimethoxy-9,10-dihydrophenanthren-1-yl)-3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C32H30O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OGYFHXKTNHMCSJ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.092 |
| Rotatable Bond Count | 5.0 |
| Logd | -0.644 |
| Compound Name | 1-(2,7-Dihydroxy-3,4-dimethoxy-9,10-dihydrophenanthren-1-yl)-3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.194 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 542.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.003520800000001 |
| Inchi | InChI=1S/C32H30O8/c1-37-29-23-19-11-7-17(33)13-15(19)5-9-21(23)25(27(35)31(29)39-3)26-22-10-6-16-14-18(34)8-12-20(16)24(22)30(38-2)32(40-4)28(26)36/h7-8,11-14,33-36H,5-6,9-10H2,1-4H3 |
| Smiles | COC1=C(C(=C(C2=C1C3=C(CC2)C=C(C=C3)O)C4=C(C(=C(C5=C4CCC6=C5C=CC(=C6)O)OC)OC)O)O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients