1-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4,6-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
PubChem CID: 134144883
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3956866 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 809.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4,6-dimethoxy-9,10-dihydrophenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C31H28O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ACONWVRKLNAYKK-UHFFFAOYSA-N |
| Fcsp3 | 0.2258064516129032 |
| Logs | -7.591 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.639 |
| Compound Name | 1-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4,6-dimethoxy-9,10-dihydrophenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 512.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 512.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 512.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.925628021052633 |
| Inchi | InChI=1S/C31H28O7/c1-36-25-12-21-16(11-22(25)33)5-8-20-29(21)27(38-3)14-24(35)31(20)30-19-7-4-15-10-17(32)6-9-18(15)28(19)26(37-2)13-23(30)34/h6,9-14,32-35H,4-5,7-8H2,1-3H3 |
| Smiles | COC1=C(C=C2CCC3=C(C(=CC(=C3C2=C1)OC)O)C4=C5CCC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients