1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol
PubChem CID: 11684843
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| Compound Synonyms | CHEMBL498129 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 728.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2-hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 7.7 |
| Molecular Formula | C32H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OYYLGWXTPCWTAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -8.882 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.13 |
| Compound Name | 1-(2-Hydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 506.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 506.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.059497957894738 |
| Inchi | InChI=1S/C32H26O6/c1-35-19-7-11-21-17(13-19)5-9-23-29(21)27(37-3)15-25(33)31(23)32-24-10-6-18-14-20(36-2)8-12-22(18)30(24)28(38-4)16-26(32)34/h5-16,33-34H,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)OC)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cremastra Appendiculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Isodon Lungshengensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Prinsepia Utilis (Plant) Rel Props:Source_db:npass_chem_all