2-[[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol
PubChem CID: 122177287
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| Compound Synonyms | CHEMBL3337987 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 706.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[[4-hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C32H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JESCIZJNBFYYQC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.594 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.177 |
| Compound Name | 2-[[4-Hydroxy-2-[2-(3-hydroxyphenyl)ethyl]-6-methoxyphenyl]methyl]-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 530.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 530.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 530.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.1243100153846175 |
| Inchi | InChI=1S/C32H34O7/c1-37-30-16-22(8-7-21-10-12-28(35)32(15-21)39-3)14-29(36)27(30)19-26-23(17-25(34)18-31(26)38-2)11-9-20-5-4-6-24(33)13-20/h4-6,10,12-18,33-36H,7-9,11,19H2,1-3H3 |
| Smiles | COC1=CC(=CC(=C1CC2=C(C=C(C=C2OC)O)CCC3=CC(=CC=C3)O)O)CCC4=CC(=C(C=C4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients