1,8-Bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
PubChem CID: 14863079
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL4932182 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 34.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 640.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C29H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GEUHSSNGWHSGHA-UHFFFAOYSA-N |
| Fcsp3 | 0.1034482758620689 |
| Logs | -3.552 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.976 |
| Compound Name | 1,8-Bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 452.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.171719552941178 |
| Inchi | InChI=1S/C29H24O5/c1-34-28-16-27(33)25(15-18-4-8-20(31)9-5-18)23-11-10-21-22(29(23)28)12-13-26(32)24(21)14-17-2-6-19(30)7-3-17/h2-13,16,30-33H,14-15H2,1H3 |
| Smiles | COC1=C2C3=C(C=CC2=C(C(=C1)O)CC4=CC=C(C=C4)O)C(=C(C=C3)O)CC5=CC=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients