Selaginpulvilin Q
PubChem CID: 137628532
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| Compound Synonyms | CHEMBL4567635, Selaginpulvilin Q, BDBM50510083 |
|---|---|
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 909.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,9-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethynyl]-7-(methoxymethyl)fluorene-2,5-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 6.6 |
| Molecular Formula | C35H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJJKKGKNJWUVOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0857142857142857 |
| Logs | -4.023 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.967 |
| Compound Name | Selaginpulvilin Q |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 542.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.6206028146341485 |
| Inchi | InChI=1S/C35H26O6/c1-41-20-22-18-32(40)33-30-17-15-28(39)19-31(30)35(23-5-11-26(37)12-6-23,24-7-13-27(38)14-8-24)34(33)29(22)16-4-21-2-9-25(36)10-3-21/h2-3,5-15,17-19,36-40H,20H2,1H3 |
| Smiles | COCC1=CC(=C2C3=C(C=C(C=C3)O)C(C2=C1C#CC4=CC=C(C=C4)O)(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients